4-[5-chloro-2-[[1-(3-fluoro-4-pyridinyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]indol-1-yl]butanenitrile

C24H18ClFN6O — CID 118023157

IUPAC4-[5-chloro-2-[[1-(3-fluoro-4-pyridinyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]indol-1-yl]butanenitrile
SMILESN#CCCCn1c(Cn2c(=O)n(-c3ccncc3F)c3ccncc32)cc2cc(Cl)ccc21
InChIInChI=1S/C24H18ClFN6O/c25-17-3-4-20-16(11-17)12-18(30(20)10-2-1-7-27)15-31-23-14-29-9-6-22(23)32(24(31)33)21-5-8-28-13-19(21)26/h3-6,8-9,11-14H,1-2,10,15H2
InChIKeyPLWZTGSUZUBGEU-UHFFFAOYSA-N
MW460.90 g/mol
LogP4.68
Rot. Bonds6

About 4-[5-chloro-2-[[1-(3-fluoro-4-pyridinyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]indol-1-yl]butanenitrile

4-[5-chloro-2-[[1-(3-fluoro-4-pyridinyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]indol-1-yl]butanenitrile (PubChem CID 118023157) has the molecular formula C24H18ClFN6O and a molecular weight of 460.90 g/mol. Its IUPAC name is 4-[5-chloro-2-[[1-(3-fluoro-4-pyridinyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]indol-1-yl]butanenitrile.

Molecular Properties

Compound Name4-[5-chloro-2-[[1-(3-fluoro-4-pyridinyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]indol-1-yl]butanenitrile
PubChem CID118023157
Molecular FormulaC24H18ClFN6O
Molecular Weight460.90 g/mol
Exact Mass460.12
IUPAC Name4-[5-chloro-2-[[1-(3-fluoro-4-pyridinyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]indol-1-yl]butanenitrile
SMILESN#CCCCn1c(Cn2c(=O)n(-c3ccncc3F)c3ccncc32)cc2cc(Cl)ccc21
InChIInChI=1S/C24H18ClFN6O/c25-17-3-4-20-16(11-17)12-18(30(20)10-2-1-7-27)15-31-23-14-29-9-6-22(23)32(24(31)33)21-5-8-28-13-19(21)26/h3-6,8-9,11-14H,1-2,10,15H2
InChIKeyPLWZTGSUZUBGEU-UHFFFAOYSA-N
XLogP4.68
TPSA81.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.90
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 60149
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5-Chloro-1-(4-fluoro-phenyl)-3-(4-methyl-piperazin-1-yl)-1H-indole
CID 15006415
1-(3-{4-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-piperidin-1-yl}-propyl)-imidazolidin-2-one
CID 15006460
1-(2-{4-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-3-methyl-imidazolidin-2-one
CID 15006464
3-[[5-Chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 57405067
3-[[5-Chloro-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-(1-methylcyclopropyl)imidazo[4,5-c]pyridin-2-one
CID 90027290
4-[5-Chloro-2-[[1-(4-methylsulfonylphenyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]indol-1-yl]butanenitrile
CID 118023792
1-Cyclopropyl-3-[[1-(4-fluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 122522802
3-[[5-Chloro-1-(4-fluorobutyl)indol-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 140242406
3-[[1-(4,4,4-Trifluorobutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-2-one
CID 155522586

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-[[1-(3-fluoro-4-pyridinyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]indol-1-yl]butanenitrile?
The IUPAC name of 4-[5-chloro-2-[[1-(3-fluoro-4-pyridinyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]indol-1-yl]butanenitrile (CID 118023157) is 4-[5-chloro-2-[[1-(3-fluoro-4-pyridinyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]indol-1-yl]butanenitrile.
What is the SMILES notation for 4-[5-chloro-2-[[1-(3-fluoro-4-pyridinyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]indol-1-yl]butanenitrile?
The canonical SMILES for 4-[5-chloro-2-[[1-(3-fluoro-4-pyridinyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]indol-1-yl]butanenitrile is N#CCCCn1c(Cn2c(=O)n(-c3ccncc3F)c3ccncc32)cc2cc(Cl)ccc21.
What is the InChIKey of 4-[5-chloro-2-[[1-(3-fluoro-4-pyridinyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]indol-1-yl]butanenitrile?
The InChIKey is PLWZTGSUZUBGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN6O/c25-17-3-4-20-16(11-17)12-18(30(20)10-2-1-7-27)15-31-23-14-29-9-6-22(23)32(24(31)33)21-5-8-28-13-19(21)26/h3-6,8-9,11-14H,1-2,10,15H2.
What are the key properties of 4-[5-chloro-2-[[1-(3-fluoro-4-pyridinyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]indol-1-yl]butanenitrile?
4-[5-chloro-2-[[1-(3-fluoro-4-pyridinyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]indol-1-yl]butanenitrile has a molecular weight of 460.90 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-[[1-(3-fluoro-4-pyridinyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]indol-1-yl]butanenitrile is sourced from PubChem (CID 118023157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).