2-[4-(1-methylimidazo[4,5-c]pyridine-7-carbonyl)piperazin-1-yl]benzonitrile

C19H18N6O — CID 126830825

IUPAC2-[4-(1-methylimidazo[4,5-c]pyridine-7-carbonyl)piperazin-1-yl]benzonitrile
SMILESCn1cnc2cncc(C(=O)N3CCN(c4ccccc4C#N)CC3)c21
InChIInChI=1S/C19H18N6O/c1-23-13-22-16-12-21-11-15(18(16)23)19(26)25-8-6-24(7-9-25)17-5-3-2-4-14(17)10-20/h2-5,11-13H,6-9H2,1H3
InChIKeyKNGCTLCEMPRLNZ-UHFFFAOYSA-N
MW346.39 g/mol
LogP1.80
Rot. Bonds2

About 2-[4-(1-methylimidazo[4,5-c]pyridine-7-carbonyl)piperazin-1-yl]benzonitrile

2-[4-(1-methylimidazo[4,5-c]pyridine-7-carbonyl)piperazin-1-yl]benzonitrile (PubChem CID 126830825) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[4-(1-methylimidazo[4,5-c]pyridine-7-carbonyl)piperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[4-(1-methylimidazo[4,5-c]pyridine-7-carbonyl)piperazin-1-yl]benzonitrile
PubChem CID126830825
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name2-[4-(1-methylimidazo[4,5-c]pyridine-7-carbonyl)piperazin-1-yl]benzonitrile
SMILESCn1cnc2cncc(C(=O)N3CCN(c4ccccc4C#N)CC3)c21
InChIInChI=1S/C19H18N6O/c1-23-13-22-16-12-21-11-15(18(16)23)19(26)25-8-6-24(7-9-25)17-5-3-2-4-14(17)10-20/h2-5,11-13H,6-9H2,1H3
InChIKeyKNGCTLCEMPRLNZ-UHFFFAOYSA-N
XLogP1.80
TPSA78.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-methylbenzoyl)piperazin-1-yl]benzonitrile
CID 113080800
2-(4-acetylpiperazin-1-yl)benzonitrile;ethane
CID 143432462
2-[4-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 86949117
2-[4-(5-formyl-2,4-dimethylbenzoyl)piperazin-1-yl]benzonitrile
CID 134498820
2-[4-[3-(piperidine-1-carbonyl)-2-pyridinyl]-1,4-diazepan-1-yl]benzonitrile
CID 133328453
2-[4-[[7-[4-(2-cyanophenyl)piperazine-1-carbonyl]-1-methylindol-5-yl]methyl]piperazin-1-yl]benzonitrile
CID 134500174
2-[4-(4-fluorobenzoyl)piperazin-1-yl]benzonitrile
CID 113080805
2-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]benzoic acid
CID 2812107
2-[4-[1,6-dimethyl-3-[4-[2-(methylamino)phenyl]piperazin-1-yl]indole-5-carbonyl]piperazin-1-yl]benzonitrile
CID 142349235
2-(4-methylpiperazin-1-yl)benzonitrile
CID 13048190
2-[4-(2-hydroxy-6-methoxybenzoyl)piperazin-1-yl]benzonitrile
CID 126828908
2-[4-[4-(1,3-dihydroisoindol-2-yl)benzoyl]piperazin-1-yl]benzonitrile
CID 141336856

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylimidazo[4,5-c]pyridine-7-carbonyl)piperazin-1-yl]benzonitrile?
The IUPAC name of 2-[4-(1-methylimidazo[4,5-c]pyridine-7-carbonyl)piperazin-1-yl]benzonitrile (CID 126830825) is 2-[4-(1-methylimidazo[4,5-c]pyridine-7-carbonyl)piperazin-1-yl]benzonitrile.
What is the SMILES notation for 2-[4-(1-methylimidazo[4,5-c]pyridine-7-carbonyl)piperazin-1-yl]benzonitrile?
The canonical SMILES for 2-[4-(1-methylimidazo[4,5-c]pyridine-7-carbonyl)piperazin-1-yl]benzonitrile is Cn1cnc2cncc(C(=O)N3CCN(c4ccccc4C#N)CC3)c21.
What is the InChIKey of 2-[4-(1-methylimidazo[4,5-c]pyridine-7-carbonyl)piperazin-1-yl]benzonitrile?
The InChIKey is KNGCTLCEMPRLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-23-13-22-16-12-21-11-15(18(16)23)19(26)25-8-6-24(7-9-25)17-5-3-2-4-14(17)10-20/h2-5,11-13H,6-9H2,1H3.
What are the key properties of 2-[4-(1-methylimidazo[4,5-c]pyridine-7-carbonyl)piperazin-1-yl]benzonitrile?
2-[4-(1-methylimidazo[4,5-c]pyridine-7-carbonyl)piperazin-1-yl]benzonitrile has a molecular weight of 346.39 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylimidazo[4,5-c]pyridine-7-carbonyl)piperazin-1-yl]benzonitrile is sourced from PubChem (CID 126830825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).