2-(3-fluoro-2-pyridinyl)-6-isocyano-3-[(1S,3R)-3-methylcyclohexyl]imidazo[4,5-c]pyridine

C19H18FN5 — CID 167620701

IUPAC2-(3-fluoro-2-pyridinyl)-6-isocyano-3-[(1S,3R)-3-methylcyclohexyl]imidazo[4,5-c]pyridine
SMILES[C-]#[N+]c1cc2nc(-c3ncccc3F)n([C@H]3CCC[C@@H](C)C3)c2cn1
InChIInChI=1S/C19H18FN5/c1-12-5-3-6-13(9-12)25-16-11-23-17(21-2)10-15(16)24-19(25)18-14(20)7-4-8-22-18/h4,7-8,10-13H,3,5-6,9H2,1H3/t12-,13+/m1/s1
InChIKeyAEVSDIURWIZAPN-OLZOCXBDSA-N
MW335.39 g/mol
LogP4.93
Rot. Bonds2

About 2-(3-fluoro-2-pyridinyl)-6-isocyano-3-[(1S,3R)-3-methylcyclohexyl]imidazo[4,5-c]pyridine

2-(3-fluoro-2-pyridinyl)-6-isocyano-3-[(1S,3R)-3-methylcyclohexyl]imidazo[4,5-c]pyridine (PubChem CID 167620701) has the molecular formula C19H18FN5 and a molecular weight of 335.39 g/mol. Its IUPAC name is 2-(3-fluoro-2-pyridinyl)-6-isocyano-3-[(1S,3R)-3-methylcyclohexyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(3-fluoro-2-pyridinyl)-6-isocyano-3-[(1S,3R)-3-methylcyclohexyl]imidazo[4,5-c]pyridine
PubChem CID167620701
Molecular FormulaC19H18FN5
Molecular Weight335.39 g/mol
Exact Mass335.15
IUPAC Name2-(3-fluoro-2-pyridinyl)-6-isocyano-3-[(1S,3R)-3-methylcyclohexyl]imidazo[4,5-c]pyridine
SMILES[C-]#[N+]c1cc2nc(-c3ncccc3F)n([C@H]3CCC[C@@H](C)C3)c2cn1
InChIInChI=1S/C19H18FN5/c1-12-5-3-6-13(9-12)25-16-11-23-17(21-2)10-15(16)24-19(25)18-14(20)7-4-8-22-18/h4,7-8,10-13H,3,5-6,9H2,1H3/t12-,13+/m1/s1
InChIKeyAEVSDIURWIZAPN-OLZOCXBDSA-N
XLogP4.93
TPSA47.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-(3-fluoro-2-pyridinyl)-6-isocyano-3-[(1S,3R)-3-methylcyclohexyl]imidazo[4,5-c]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

3-[(1S,3R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-fluoro-2-pyridinyl)imidazo[4,5-c]pyridine-6-carboxylic acid
CID 167566660
3-cyclopropyl-2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]imidazo[4,5-c]pyridine
CID 150464587
5-cyano-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(triazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
CID 168886120
5-bromo-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide
CID 168886016
5-methyl-1-(3-methylcyclohexyl)benzimidazol-2-amine
CID 43662068
5-bromo-N-[3-[2-(3-fluoro-2-pyridinyl)-6-(1,3,4-oxadiazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide
CID 168886041
5-bromo-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(1,2,4-triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide
CID 168885363
5-bromo-2-(2-chloroethyl)-1-(3-methylcyclohexyl)benzimidazole
CID 43667494
3-[2-(2-fluorophenyl)-6-pyrimidin-2-ylbenzimidazol-1-yl]cyclohexan-1-amine
CID 168886146
3-[6-bromo-2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-amine
CID 168886292
6-methyl-3-(3-methylcyclohexyl)imidazo[4,5-b]pyridin-2-amine
CID 79301684
2-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)pyridin-3-amine
CID 104740713

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-pyridinyl)-6-isocyano-3-[(1S,3R)-3-methylcyclohexyl]imidazo[4,5-c]pyridine?
The IUPAC name of 2-(3-fluoro-2-pyridinyl)-6-isocyano-3-[(1S,3R)-3-methylcyclohexyl]imidazo[4,5-c]pyridine (CID 167620701) is 2-(3-fluoro-2-pyridinyl)-6-isocyano-3-[(1S,3R)-3-methylcyclohexyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(3-fluoro-2-pyridinyl)-6-isocyano-3-[(1S,3R)-3-methylcyclohexyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(3-fluoro-2-pyridinyl)-6-isocyano-3-[(1S,3R)-3-methylcyclohexyl]imidazo[4,5-c]pyridine is [C-]#[N+]c1cc2nc(-c3ncccc3F)n([C@H]3CCC[C@@H](C)C3)c2cn1.
What is the InChIKey of 2-(3-fluoro-2-pyridinyl)-6-isocyano-3-[(1S,3R)-3-methylcyclohexyl]imidazo[4,5-c]pyridine?
The InChIKey is AEVSDIURWIZAPN-OLZOCXBDSA-N. The full InChI is InChI=1S/C19H18FN5/c1-12-5-3-6-13(9-12)25-16-11-23-17(21-2)10-15(16)24-19(25)18-14(20)7-4-8-22-18/h4,7-8,10-13H,3,5-6,9H2,1H3/t12-,13+/m1/s1.
What are the key properties of 2-(3-fluoro-2-pyridinyl)-6-isocyano-3-[(1S,3R)-3-methylcyclohexyl]imidazo[4,5-c]pyridine?
2-(3-fluoro-2-pyridinyl)-6-isocyano-3-[(1S,3R)-3-methylcyclohexyl]imidazo[4,5-c]pyridine has a molecular weight of 335.39 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-pyridinyl)-6-isocyano-3-[(1S,3R)-3-methylcyclohexyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 167620701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).