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(5-amino-1H-indol-2-yl)-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl]methanone

(5-amino-1H-indol-2-yl)-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl]methanone structure

CAS No:
136817-55-5
Formula:
C21H26N6O
Chemical Name:
(5-amino-1H-indol-2-yl)-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl]methanone
Synonyms:
Piperazine,1-[(5-amino-1H-indol-2-yl)carbonyl]-4-[3-[(1-methylethyl)amino]-2-pyridinyl]; 1-(5-Aminoindolyl-2-carbonyl]-4-(3-(1-methylethyl)amino-2-pyridinyl)piperazine; 5-or 6-Substituted Indole BHAP analogue 8; N-[5-Amino-2-indolcarbonyl]-N'-[3-(isopropylamino)-2-pyridinyl]piperazine;

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(5-amino-1H-indol-2-yl)-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl]methanone Basic Attributes

Molecular Weight：

378.47100

Exact Mass：

378.21680947 g/mol

DSSTox ID：

DTXSID70159958

Characteristics

PSA：

90.28000

XLogP3：

3.58490

Density：

1.302g/cm3

Boiling Point：

681.3ºC

Flash Point：

365.8ºC

Refractive Index：

1.706

Vapor Pressure：

2.05E-18mmHg at 25°C

Computed Properties

Molecular Weight:378.5
XLogP3:2.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:378.21680947
Monoisotopic Mass:378.21680947
Topological Polar Surface Area:90.3
Heavy Atom Count:28
Complexity:535
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (5-amino-1H-indol-2-yl)-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl]methanone

Basic Attributes
Characteristics
Computed Properties

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