4-[1-(4-chlorophenyl)-2-pyridin-3-ylpyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide

C24H22ClN5O — CID 118576907

IUPAC4-[1-(4-chlorophenyl)-2-pyridin-3-ylpyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(c2c(-c3cccnc3)n(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C24H22ClN5O/c25-18-3-5-19(6-4-18)30-21-15-28-11-7-20(21)22(23(30)17-2-1-10-27-14-17)16-8-12-29(13-9-16)24(26)31/h1-7,10-11,14-16H,8-9,12-13H2,(H2,26,31)
InChIKeyWZBSBFMKRPNPGH-UHFFFAOYSA-N
MW431.93 g/mol
LogP5.00
Rot. Bonds3

About 4-[1-(4-chlorophenyl)-2-pyridin-3-ylpyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide

4-[1-(4-chlorophenyl)-2-pyridin-3-ylpyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide (PubChem CID 118576907) has the molecular formula C24H22ClN5O and a molecular weight of 431.93 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)-2-pyridin-3-ylpyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)-2-pyridin-3-ylpyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
PubChem CID118576907
Molecular FormulaC24H22ClN5O
Molecular Weight431.93 g/mol
Exact Mass431.15
IUPAC Name4-[1-(4-chlorophenyl)-2-pyridin-3-ylpyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(c2c(-c3cccnc3)n(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C24H22ClN5O/c25-18-3-5-19(6-4-18)30-21-15-28-11-7-20(21)22(23(30)17-2-1-10-27-14-17)16-8-12-29(13-9-16)24(26)31/h1-7,10-11,14-16H,8-9,12-13H2,(H2,26,31)
InChIKeyWZBSBFMKRPNPGH-UHFFFAOYSA-N
XLogP5.00
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.93
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Sertindole
CID 60149
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
4-[5-Chloro-2-[[1-(3-fluoro-4-pyridinyl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]indol-1-yl]butanenitrile
CID 118023157
2-Imidazolidinone,1-[2-[4-[5-chloro-3-(4-fluorophenyl)-1h-indol-1-yl]-1-piperidinyl]ethyl]-
CID 10003405
1-(2-{4-[6-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-1,3-dimethyl-urea
CID 10026395
1-(2-{4-[1-(4-Chloro-phenyl)-6-methyl-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-3-isopropyl-imidazolidin-2-one
CID 10073825
1-(4-{4-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-piperidin-1-yl}-butyl)-imidazolidin-2-one
CID 15006461
1-(5-{4-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-piperidin-1-yl}-pentyl)-imidazolidin-2-one
CID 15006462
1-(6-{4-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-piperidin-1-yl}-hexyl)-imidazolidin-2-one
CID 15006463
9-{3-[4-(3-Chloro-phenyl)-piperazin-1-yl]-propyl}-2-(3-pyridin-3-yl-propyl)-2,3,4,9-tetrahydro-1H-beta-carboline
CID 44268210
4-[5-Chloro-2-[(2-oxo-1-pyridin-4-ylimidazo[4,5-c]pyridin-3-yl)methyl]indol-1-yl]butanenitrile
CID 118023608

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)-2-pyridin-3-ylpyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
The IUPAC name of 4-[1-(4-chlorophenyl)-2-pyridin-3-ylpyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide (CID 118576907) is 4-[1-(4-chlorophenyl)-2-pyridin-3-ylpyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[1-(4-chlorophenyl)-2-pyridin-3-ylpyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-[1-(4-chlorophenyl)-2-pyridin-3-ylpyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide is NC(=O)N1CCC(c2c(-c3cccnc3)n(-c3ccc(Cl)cc3)c3cnccc23)CC1.
What is the InChIKey of 4-[1-(4-chlorophenyl)-2-pyridin-3-ylpyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
The InChIKey is WZBSBFMKRPNPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O/c25-18-3-5-19(6-4-18)30-21-15-28-11-7-20(21)22(23(30)17-2-1-10-27-14-17)16-8-12-29(13-9-16)24(26)31/h1-7,10-11,14-16H,8-9,12-13H2,(H2,26,31).
What are the key properties of 4-[1-(4-chlorophenyl)-2-pyridin-3-ylpyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
4-[1-(4-chlorophenyl)-2-pyridin-3-ylpyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide has a molecular weight of 431.93 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)-2-pyridin-3-ylpyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 118576907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).