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

C23H23ClN6O — CID 86269067

IUPAC4-[1-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
SMILESCn1cc(-c2c(C3CCN(C(N)=O)CC3)c3ccncc3n2-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C23H23ClN6O/c1-28-14-16(12-27-28)22-21(15-7-10-29(11-8-15)23(25)31)19-6-9-26-13-20(19)30(22)18-4-2-17(24)3-5-18/h2-6,9,12-15H,7-8,10-11H2,1H3,(H2,25,31)
InChIKeyFVMPSUYATSCKMP-UHFFFAOYSA-N
MW434.93 g/mol
LogP4.34
Rot. Bonds3

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

4-[1-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide (PubChem CID 86269067) has the molecular formula C23H23ClN6O and a molecular weight of 434.93 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
PubChem CID86269067
Molecular FormulaC23H23ClN6O
Molecular Weight434.93 g/mol
Exact Mass434.16
IUPAC Name4-[1-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
SMILESCn1cc(-c2c(C3CCN(C(N)=O)CC3)c3ccncc3n2-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C23H23ClN6O/c1-28-14-16(12-27-28)22-21(15-7-10-29(11-8-15)23(25)31)19-6-9-26-13-20(19)30(22)18-4-2-17(24)3-5-18/h2-6,9,12-15H,7-8,10-11H2,1H3,(H2,25,31)
InChIKeyFVMPSUYATSCKMP-UHFFFAOYSA-N
XLogP4.34
TPSA81.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[1-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide 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 4-[1-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
The IUPAC name of 4-[1-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide (CID 86269067) is 4-[1-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[1-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-[1-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide is Cn1cc(-c2c(C3CCN(C(N)=O)CC3)c3ccncc3n2-c2ccc(Cl)cc2)cn1.
What is the InChIKey of 4-[1-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
The InChIKey is FVMPSUYATSCKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O/c1-28-14-16(12-27-28)22-21(15-7-10-29(11-8-15)23(25)31)19-6-9-26-13-20(19)30(22)18-4-2-17(24)3-5-18/h2-6,9,12-15H,7-8,10-11H2,1H3,(H2,25,31).
What are the key properties of 4-[1-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
4-[1-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide has a molecular weight of 434.93 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 86269067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).