4-[1-(4-chlorophenyl)-2-(4-methyl-3,4-dihydropyridin-5-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide

C25H26ClN5O — CID 145325591

IUPAC4-[1-(4-chlorophenyl)-2-(4-methyl-3,4-dihydropyridin-5-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
SMILESCC1CC=NC=C1c1c(C2CCN(C(N)=O)CC2)c2ccncc2n1-c1ccc(Cl)cc1
InChIInChI=1S/C25H26ClN5O/c1-16-6-10-28-14-21(16)24-23(17-8-12-30(13-9-17)25(27)32)20-7-11-29-15-22(20)31(24)19-4-2-18(26)3-5-19/h2-5,7,10-11,14-17H,6,8-9,12-13H2,1H3,(H2,27,32)
InChIKeyQHJKGIDFQGLWPB-UHFFFAOYSA-N
MW447.97 g/mol
LogP5.39
Rot. Bonds3

About 4-[1-(4-chlorophenyl)-2-(4-methyl-3,4-dihydropyridin-5-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide

4-[1-(4-chlorophenyl)-2-(4-methyl-3,4-dihydropyridin-5-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide (PubChem CID 145325591) has the molecular formula C25H26ClN5O and a molecular weight of 447.97 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)-2-(4-methyl-3,4-dihydropyridin-5-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)-2-(4-methyl-3,4-dihydropyridin-5-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
PubChem CID145325591
Molecular FormulaC25H26ClN5O
Molecular Weight447.97 g/mol
Exact Mass447.18
IUPAC Name4-[1-(4-chlorophenyl)-2-(4-methyl-3,4-dihydropyridin-5-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
SMILESCC1CC=NC=C1c1c(C2CCN(C(N)=O)CC2)c2ccncc2n1-c1ccc(Cl)cc1
InChIInChI=1S/C25H26ClN5O/c1-16-6-10-28-14-21(16)24-23(17-8-12-30(13-9-17)25(27)32)20-7-11-29-15-22(20)31(24)19-4-2-18(26)3-5-19/h2-5,7,10-11,14-17H,6,8-9,12-13H2,1H3,(H2,27,32)
InChIKeyQHJKGIDFQGLWPB-UHFFFAOYSA-N
XLogP5.39
TPSA76.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.97
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-bromo-1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
CID 90421918
4-[1-(4-chlorophenyl)-2-(6-methoxy-3-pyridinyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
CID 86268869
4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide;4-propylmorpholine
CID 144974958
1-(4-chlorophenyl)-2-(2-methylpyrazol-3-yl)-3-piperidin-4-ylpyrrolo[2,3-c]pyridine
CID 90421605
[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 89451467
[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-piperazin-1-ylmethanone;propane
CID 145325570
N-(1-acetylpiperidin-4-yl)-4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
CID 90412720
4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide
CID 71516373
4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]piperidine-1-carboxamide
CID 144553308
[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 90413829
1-(4-chlorophenyl)-3-(4-methylpiperidin-1-yl)pyrazolo[5,4-c]pyridine
CID 140654566
1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one
CID 159829945

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)-2-(4-methyl-3,4-dihydropyridin-5-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
The IUPAC name of 4-[1-(4-chlorophenyl)-2-(4-methyl-3,4-dihydropyridin-5-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide (CID 145325591) is 4-[1-(4-chlorophenyl)-2-(4-methyl-3,4-dihydropyridin-5-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[1-(4-chlorophenyl)-2-(4-methyl-3,4-dihydropyridin-5-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-[1-(4-chlorophenyl)-2-(4-methyl-3,4-dihydropyridin-5-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide is CC1CC=NC=C1c1c(C2CCN(C(N)=O)CC2)c2ccncc2n1-c1ccc(Cl)cc1.
What is the InChIKey of 4-[1-(4-chlorophenyl)-2-(4-methyl-3,4-dihydropyridin-5-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
The InChIKey is QHJKGIDFQGLWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O/c1-16-6-10-28-14-21(16)24-23(17-8-12-30(13-9-17)25(27)32)20-7-11-29-15-22(20)31(24)19-4-2-18(26)3-5-19/h2-5,7,10-11,14-17H,6,8-9,12-13H2,1H3,(H2,27,32).
What are the key properties of 4-[1-(4-chlorophenyl)-2-(4-methyl-3,4-dihydropyridin-5-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
4-[1-(4-chlorophenyl)-2-(4-methyl-3,4-dihydropyridin-5-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide has a molecular weight of 447.97 g/mol, XLogP of 5.39, 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-(4-methyl-3,4-dihydropyridin-5-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 145325591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).