4-[[3-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-4-yl]-hydroxymethyl]benzonitrile

C22H16ClN5O2 — CID 18779774

IUPAC4-[[3-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-4-yl]-hydroxymethyl]benzonitrile
SMILESN#Cc1ccc(C(O)c2cncn2Cc2ccc(-n3cc(Cl)ccc3=O)nc2)cc1
InChIInChI=1S/C22H16ClN5O2/c23-18-6-8-21(29)28(13-18)20-7-3-16(10-26-20)12-27-14-25-11-19(27)22(30)17-4-1-15(9-24)2-5-17/h1-8,10-11,13-14,22,30H,12H2
InChIKeyRKWGOJWETPVWLH-UHFFFAOYSA-N
MW417.86 g/mol
LogP3.08
Rot. Bonds5

About 4-[[3-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-4-yl]-hydroxymethyl]benzonitrile

4-[[3-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-4-yl]-hydroxymethyl]benzonitrile (PubChem CID 18779774) has the molecular formula C22H16ClN5O2 and a molecular weight of 417.86 g/mol. Its IUPAC name is 4-[[3-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-4-yl]-hydroxymethyl]benzonitrile.

Molecular Properties

Compound Name4-[[3-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-4-yl]-hydroxymethyl]benzonitrile
PubChem CID18779774
Molecular FormulaC22H16ClN5O2
Molecular Weight417.86 g/mol
Exact Mass417.10
IUPAC Name4-[[3-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-4-yl]-hydroxymethyl]benzonitrile
SMILESN#Cc1ccc(C(O)c2cncn2Cc2ccc(-n3cc(Cl)ccc3=O)nc2)cc1
InChIInChI=1S/C22H16ClN5O2/c23-18-6-8-21(29)28(13-18)20-7-3-16(10-26-20)12-27-14-25-11-19(27)22(30)17-4-1-15(9-24)2-5-17/h1-8,10-11,13-14,22,30H,12H2
InChIKeyRKWGOJWETPVWLH-UHFFFAOYSA-N
XLogP3.08
TPSA96.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.86
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[3-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-4-yl]-hydroxymethyl]benzonitrile with MolForge

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Related Compounds

2-(4-Acetyl-piperazin-1-yl)-5-(3-chloro-phenyl)-6-[(4-cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-methoxymethyl]-nicotinonitrile
CID 44286315
5-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-methoxymethyl]-6-morpholin-4-yl-pyridine-2-carbonitrile
CID 44286731
4-{6-Cyano-3-[(4-cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-methoxymethyl]-pyridin-2-yl}-piperazine-1-carboxylic acid tert-butyl ester
CID 44286732
6-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-methoxymethyl]-2-(4-methyl-piperazin-1-yl)-nicotinonitrile
CID 44286774
N-[[6-[hydroxy(phenyl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 155167352
4-[[3-[[6-(5-Chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-4-yl]-fluoromethyl]benzonitrile
CID 18779731
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-[(1-methyl-1H-imidazol-2-yl)methyl]-2-oxo-1,2-dihydro-1,5-naphthyridine-3-carboxamide
CID 69482133
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide
CID 69482656
4-[(R)-[3-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-4-yl]-fluoromethyl]benzonitrile
CID 70286450
N-[(1R,2S)-1-[4-[6-(1,1-difluoro-2-imidazol-1-ylethyl)pyridin-3-yl]phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide
CID 73603273
N-((1R,2S)-1-(4-(6-((1H-imidazol-1-yl)methyl)-pyridin-3-yl)phenyl)-3-fluoro-1-hydroxypropan-2-yl)-2,2-dichloroacetamide
CID 86695391
2,2-dichloro-N-[(1S,2S)-3-fluoro-1-hydroxy-1-[4-[6-(imidazol-1-ylmethyl)-3-pyridinyl]phenyl]propan-2-yl]acetamide
CID 89790737

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-4-yl]-hydroxymethyl]benzonitrile?
The IUPAC name of 4-[[3-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-4-yl]-hydroxymethyl]benzonitrile (CID 18779774) is 4-[[3-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-4-yl]-hydroxymethyl]benzonitrile.
What is the SMILES notation for 4-[[3-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-4-yl]-hydroxymethyl]benzonitrile?
The canonical SMILES for 4-[[3-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-4-yl]-hydroxymethyl]benzonitrile is N#Cc1ccc(C(O)c2cncn2Cc2ccc(-n3cc(Cl)ccc3=O)nc2)cc1.
What is the InChIKey of 4-[[3-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-4-yl]-hydroxymethyl]benzonitrile?
The InChIKey is RKWGOJWETPVWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN5O2/c23-18-6-8-21(29)28(13-18)20-7-3-16(10-26-20)12-27-14-25-11-19(27)22(30)17-4-1-15(9-24)2-5-17/h1-8,10-11,13-14,22,30H,12H2.
What are the key properties of 4-[[3-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-4-yl]-hydroxymethyl]benzonitrile?
4-[[3-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-4-yl]-hydroxymethyl]benzonitrile has a molecular weight of 417.86 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-4-yl]-hydroxymethyl]benzonitrile is sourced from PubChem (CID 18779774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).