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

C23H14ClN9O — CID 146433538

IUPAC6-[[5-[7-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Cn2nccc2-c2cc(Cl)c3nnn(-c4ccc5[nH]c(=O)[nH]c5c4)c3c2)nc1
InChIInChI=1S/C23H14ClN9O/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,(H2,28,29,34)
InChIKeyGONXKSIPTDHRRR-UHFFFAOYSA-N
MW467.88 g/mol
LogP3.42
Rot. Bonds4

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

6-[[5-[7-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]pyridine-3-carbonitrile (PubChem CID 146433538) has the molecular formula C23H14ClN9O and a molecular weight of 467.88 g/mol. Its IUPAC name is 6-[[5-[7-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[5-[7-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]pyridine-3-carbonitrile
PubChem CID146433538
Molecular FormulaC23H14ClN9O
Molecular Weight467.88 g/mol
Exact Mass467.10
IUPAC Name6-[[5-[7-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Cn2nccc2-c2cc(Cl)c3nnn(-c4ccc5[nH]c(=O)[nH]c5c4)c3c2)nc1
InChIInChI=1S/C23H14ClN9O/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,(H2,28,29,34)
InChIKeyGONXKSIPTDHRRR-UHFFFAOYSA-N
XLogP3.42
TPSA133.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.88
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[[5-[7-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[5-[7-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[[5-[7-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]pyridine-3-carbonitrile (CID 146433538) is 6-[[5-[7-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[5-[7-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[5-[7-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]pyridine-3-carbonitrile is N#Cc1ccc(Cn2nccc2-c2cc(Cl)c3nnn(-c4ccc5[nH]c(=O)[nH]c5c4)c3c2)nc1.
What is the InChIKey of 6-[[5-[7-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]pyridine-3-carbonitrile?
The InChIKey is GONXKSIPTDHRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClN9O/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,(H2,28,29,34).
What are the key properties of 6-[[5-[7-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]pyridine-3-carbonitrile?
6-[[5-[7-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]pyridine-3-carbonitrile has a molecular weight of 467.88 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[7-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 146433538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).