6-[[5-[7-chloro-3-(2-oxobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]pyridine-3-carbonitrile

C23H12ClN9O — CID 162477143

IUPAC6-[[5-[7-chloro-3-(2-oxobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Cn2nccc2-c2cc(Cl)c3nnn(-c4ccc5c(c4)=NC(=O)N=5)c3c2)nc1
InChIInChI=1S/C23H12ClN9O/c24-17-7-14(20-5-6-27-32(20)12-15-2-1-13(10-25)11-26-15)8-21-22(17)30-31-33(21)16-3-4-18-19(9-16)29-23(34)28-18/h1-9,11H,12H2
InChIKeyNGTUWMWPBZYAKM-UHFFFAOYSA-N
MW465.86 g/mol
LogP2.63
Rot. Bonds4

About 6-[[5-[7-chloro-3-(2-oxobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]pyridine-3-carbonitrile

6-[[5-[7-chloro-3-(2-oxobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]pyridine-3-carbonitrile (PubChem CID 162477143) has the molecular formula C23H12ClN9O and a molecular weight of 465.86 g/mol. Its IUPAC name is 6-[[5-[7-chloro-3-(2-oxobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[5-[7-chloro-3-(2-oxobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]pyridine-3-carbonitrile
PubChem CID162477143
Molecular FormulaC23H12ClN9O
Molecular Weight465.86 g/mol
Exact Mass465.09
IUPAC Name6-[[5-[7-chloro-3-(2-oxobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Cn2nccc2-c2cc(Cl)c3nnn(-c4ccc5c(c4)=NC(=O)N=5)c3c2)nc1
InChIInChI=1S/C23H12ClN9O/c24-17-7-14(20-5-6-27-32(20)12-15-2-1-13(10-25)11-26-15)8-21-22(17)30-31-33(21)16-3-4-18-19(9-16)29-23(34)28-18/h1-9,11H,12H2
InChIKeyNGTUWMWPBZYAKM-UHFFFAOYSA-N
XLogP2.63
TPSA127.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.86
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-chloro-6-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
CID 162477067
4-[[5-[7-fluoro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzonitrile
CID 162477000
5-[4-chloro-6-[2-(2-methyl-4-pyridinyl)pyrazol-3-yl]benzotriazol-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 162477075
2-[5-[7-chloro-3-(1H-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]-1-piperidin-1-ylethanone
CID 162476987
4-[[5-[3-ethyl-1-(1H-indazol-6-yl)pyrazolo[4,3-b]pyridin-6-yl]pyrazol-1-yl]methyl]benzonitrile
CID 162477006
4-[[5-[3-amino-4-fluoro-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)indazol-6-yl]pyrazol-1-yl]methyl]benzonitrile
CID 162476930
4-[[(3Z)-3-[5-hydroxy-1-(2-oxobenzimidazol-5-yl)triazolo[4,5-c]pyridin-6-ylidene]-1H-pyrazol-2-yl]methyl]benzonitrile
CID 162477081
4-[[5-[3-amino-1-(1H-indazol-6-yl)-4-oxidopyrazolo[4,3-b]pyridin-4-ium-6-yl]pyrazol-1-yl]methyl]benzonitrile
CID 162477126
6-(chloromethyl)pyridine-3-carbonitrile
CID 14980535
5-[6-[2-[(2-chloro-4-methoxyphenyl)methyl]pyrazol-3-yl]triazolo[4,5-c]pyridin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 162477025
6-[(2-chloro-4-methylbenzimidazol-1-yl)methyl]pyridine-3-carbonitrile
CID 155154571
4-[[5-[4-amino-3-[amino(1H-indazol-6-yl)amino]-5-chlorophenyl]pyrazol-1-yl]methyl]benzonitrile
CID 146433230

Frequently Asked Questions

What is the IUPAC name of 6-[[5-[7-chloro-3-(2-oxobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[[5-[7-chloro-3-(2-oxobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]pyridine-3-carbonitrile (CID 162477143) is 6-[[5-[7-chloro-3-(2-oxobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[5-[7-chloro-3-(2-oxobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[5-[7-chloro-3-(2-oxobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]pyridine-3-carbonitrile is N#Cc1ccc(Cn2nccc2-c2cc(Cl)c3nnn(-c4ccc5c(c4)=NC(=O)N=5)c3c2)nc1.
What is the InChIKey of 6-[[5-[7-chloro-3-(2-oxobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]pyridine-3-carbonitrile?
The InChIKey is NGTUWMWPBZYAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12ClN9O/c24-17-7-14(20-5-6-27-32(20)12-15-2-1-13(10-25)11-26-15)8-21-22(17)30-31-33(21)16-3-4-18-19(9-16)29-23(34)28-18/h1-9,11H,12H2.
What are the key properties of 6-[[5-[7-chloro-3-(2-oxobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]pyridine-3-carbonitrile?
6-[[5-[7-chloro-3-(2-oxobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]pyridine-3-carbonitrile has a molecular weight of 465.86 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[7-chloro-3-(2-oxobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 162477143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).