2-[[4-cyclopropyl-6-(6-piperazin-1-yl-3-pyridinyl)-2-pyridinyl]amino]pyridine-4-carbonitrile;hydrochloride

C23H24ClN7 — CID 86694846

IUPAC2-[[4-cyclopropyl-6-(6-piperazin-1-yl-3-pyridinyl)-2-pyridinyl]amino]pyridine-4-carbonitrile;hydrochloride
SMILESCl.N#Cc1ccnc(Nc2cc(C3CC3)cc(-c3ccc(N4CCNCC4)nc3)n2)c1
InChIInChI=1S/C23H23N7.ClH/c24-14-16-5-6-26-21(11-16)29-22-13-19(17-1-2-17)12-20(28-22)18-3-4-23(27-15-18)30-9-7-25-8-10-30;/h3-6,11-13,15,17,25H,1-2,7-10H2,(H,26,28,29);1H
InChIKeyFEGDOECQAZXEPY-UHFFFAOYSA-N
MW433.95 g/mol
LogP3.86
Rot. Bonds5

About 2-[[4-cyclopropyl-6-(6-piperazin-1-yl-3-pyridinyl)-2-pyridinyl]amino]pyridine-4-carbonitrile;hydrochloride

2-[[4-cyclopropyl-6-(6-piperazin-1-yl-3-pyridinyl)-2-pyridinyl]amino]pyridine-4-carbonitrile;hydrochloride (PubChem CID 86694846) has the molecular formula C23H24ClN7 and a molecular weight of 433.95 g/mol. Its IUPAC name is 2-[[4-cyclopropyl-6-(6-piperazin-1-yl-3-pyridinyl)-2-pyridinyl]amino]pyridine-4-carbonitrile;hydrochloride.

Molecular Properties

Compound Name2-[[4-cyclopropyl-6-(6-piperazin-1-yl-3-pyridinyl)-2-pyridinyl]amino]pyridine-4-carbonitrile;hydrochloride
PubChem CID86694846
Molecular FormulaC23H24ClN7
Molecular Weight433.95 g/mol
Exact Mass433.18
IUPAC Name2-[[4-cyclopropyl-6-(6-piperazin-1-yl-3-pyridinyl)-2-pyridinyl]amino]pyridine-4-carbonitrile;hydrochloride
SMILESCl.N#Cc1ccnc(Nc2cc(C3CC3)cc(-c3ccc(N4CCNCC4)nc3)n2)c1
InChIInChI=1S/C23H23N7.ClH/c24-14-16-5-6-26-21(11-16)29-22-13-19(17-1-2-17)12-20(28-22)18-3-4-23(27-15-18)30-9-7-25-8-10-30;/h3-6,11-13,15,17,25H,1-2,7-10H2,(H,26,28,29);1H
InChIKeyFEGDOECQAZXEPY-UHFFFAOYSA-N
XLogP3.86
TPSA89.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.95
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[4-cyclopropyl-6-(6-piperazin-1-yl-3-pyridinyl)-2-pyridinyl]amino]pyridine-4-carbonitrile;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

2-[[4-cyclopropyl-6-[6-(2-oxopiperazin-1-yl)-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile
CID 56970945
tert-butyl N-[(3R)-1-[5-[6-[(4-cyano-2-pyridinyl)amino]-4-cyclopropyl-2-pyridinyl]-2-pyridinyl]pyrrolidin-3-yl]carbamate
CID 86694863
1-[5-(6-chloro-4-cyclopropyl-2-pyridinyl)-2-pyridinyl]piperazine
CID 86694860
2-[[4-cyclopropyl-6-[5-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile
CID 56968316
2-[[4-cyclopropyl-6-[6-[(3-hydroxy-2,2-dimethylpropyl)amino]-3-pyridinyl]-2-pyridinyl]amino]pyridine-4-carbonitrile
CID 56970057
4-cyclopropyl-6-[6-(1,4-diazepan-1-yl)-3-pyridinyl]pyridin-2-amine
CID 141335696
2-[(4-cyclopropyl-2-pyridinyl)amino]pyridine-4-carbonitrile
CID 129021795
2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-piperidin-4-yl-2-pyridinyl]amino]pyridine-4-carbonitrile
CID 162747716
2-[[4-(1-methylsulfanylpiperidin-4-yl)-2-pyridinyl]amino]pyridine-4-carbonitrile
CID 134293686
4-[4-[2-[(4-cyano-2-pyridinyl)amino]-6-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]piperidin-1-yl]-4-oxobutanoic acid
CID 162747627
N-(3,5-dimethylphenyl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine
CID 18545620
2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]pyridine-3-carbonitrile
CID 78324428

Frequently Asked Questions

What is the IUPAC name of 2-[[4-cyclopropyl-6-(6-piperazin-1-yl-3-pyridinyl)-2-pyridinyl]amino]pyridine-4-carbonitrile;hydrochloride?
The IUPAC name of 2-[[4-cyclopropyl-6-(6-piperazin-1-yl-3-pyridinyl)-2-pyridinyl]amino]pyridine-4-carbonitrile;hydrochloride (CID 86694846) is 2-[[4-cyclopropyl-6-(6-piperazin-1-yl-3-pyridinyl)-2-pyridinyl]amino]pyridine-4-carbonitrile;hydrochloride.
What is the SMILES notation for 2-[[4-cyclopropyl-6-(6-piperazin-1-yl-3-pyridinyl)-2-pyridinyl]amino]pyridine-4-carbonitrile;hydrochloride?
The canonical SMILES for 2-[[4-cyclopropyl-6-(6-piperazin-1-yl-3-pyridinyl)-2-pyridinyl]amino]pyridine-4-carbonitrile;hydrochloride is Cl.N#Cc1ccnc(Nc2cc(C3CC3)cc(-c3ccc(N4CCNCC4)nc3)n2)c1.
What is the InChIKey of 2-[[4-cyclopropyl-6-(6-piperazin-1-yl-3-pyridinyl)-2-pyridinyl]amino]pyridine-4-carbonitrile;hydrochloride?
The InChIKey is FEGDOECQAZXEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7.ClH/c24-14-16-5-6-26-21(11-16)29-22-13-19(17-1-2-17)12-20(28-22)18-3-4-23(27-15-18)30-9-7-25-8-10-30;/h3-6,11-13,15,17,25H,1-2,7-10H2,(H,26,28,29);1H.
What are the key properties of 2-[[4-cyclopropyl-6-(6-piperazin-1-yl-3-pyridinyl)-2-pyridinyl]amino]pyridine-4-carbonitrile;hydrochloride?
2-[[4-cyclopropyl-6-(6-piperazin-1-yl-3-pyridinyl)-2-pyridinyl]amino]pyridine-4-carbonitrile;hydrochloride has a molecular weight of 433.95 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-cyclopropyl-6-(6-piperazin-1-yl-3-pyridinyl)-2-pyridinyl]amino]pyridine-4-carbonitrile;hydrochloride is sourced from PubChem (CID 86694846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).