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

C22H21ClN6O — CID 86269066

IUPAC4-[1-(4-chlorophenyl)-2-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(c2c(-c3cn[nH]c3)n(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C22H21ClN6O/c23-16-1-3-17(4-2-16)29-19-13-25-8-5-18(19)20(21(29)15-11-26-27-12-15)14-6-9-28(10-7-14)22(24)30/h1-5,8,11-14H,6-7,9-10H2,(H2,24,30)(H,26,27)
InChIKeySTPFGQBPKLNYMU-UHFFFAOYSA-N
MW420.90 g/mol
LogP4.33
Rot. Bonds3

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

4-[1-(4-chlorophenyl)-2-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide (PubChem CID 86269066) has the molecular formula C22H21ClN6O and a molecular weight of 420.90 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)-2-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)-2-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
PubChem CID86269066
Molecular FormulaC22H21ClN6O
Molecular Weight420.90 g/mol
Exact Mass420.15
IUPAC Name4-[1-(4-chlorophenyl)-2-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(c2c(-c3cn[nH]c3)n(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C22H21ClN6O/c23-16-1-3-17(4-2-16)29-19-13-25-8-5-18(19)20(21(29)15-11-26-27-12-15)14-6-9-28(10-7-14)22(24)30/h1-5,8,11-14H,6-7,9-10H2,(H2,24,30)(H,26,27)
InChIKeySTPFGQBPKLNYMU-UHFFFAOYSA-N
XLogP4.33
TPSA92.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)-2-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
The IUPAC name of 4-[1-(4-chlorophenyl)-2-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide (CID 86269066) is 4-[1-(4-chlorophenyl)-2-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[1-(4-chlorophenyl)-2-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-[1-(4-chlorophenyl)-2-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide is NC(=O)N1CCC(c2c(-c3cn[nH]c3)n(-c3ccc(Cl)cc3)c3cnccc23)CC1.
What is the InChIKey of 4-[1-(4-chlorophenyl)-2-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
The InChIKey is STPFGQBPKLNYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O/c23-16-1-3-17(4-2-16)29-19-13-25-8-5-18(19)20(21(29)15-11-26-27-12-15)14-6-9-28(10-7-14)22(24)30/h1-5,8,11-14H,6-7,9-10H2,(H2,24,30)(H,26,27).
What are the key properties of 4-[1-(4-chlorophenyl)-2-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
4-[1-(4-chlorophenyl)-2-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide has a molecular weight of 420.90 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)-2-(1H-pyrazol-4-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 86269066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).