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

C23H23ClN6O — CID 86269068

IUPAC4-[1-(4-chlorophenyl)-2-(2-methylpyrazol-3-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
SMILESCn1nccc1-c1c(C2CCN(C(N)=O)CC2)c2ccncc2n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H23ClN6O/c1-28-19(7-11-27-28)22-21(15-8-12-29(13-9-15)23(25)31)18-6-10-26-14-20(18)30(22)17-4-2-16(24)3-5-17/h2-7,10-11,14-15H,8-9,12-13H2,1H3,(H2,25,31)
InChIKeyAJJVTOMIBFGUBX-UHFFFAOYSA-N
MW434.93 g/mol
LogP4.34
Rot. Bonds3

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

4-[1-(4-chlorophenyl)-2-(2-methylpyrazol-3-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide (PubChem CID 86269068) has the molecular formula C23H23ClN6O and a molecular weight of 434.93 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)-2-(2-methylpyrazol-3-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)-2-(2-methylpyrazol-3-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
PubChem CID86269068
Molecular FormulaC23H23ClN6O
Molecular Weight434.93 g/mol
Exact Mass434.16
IUPAC Name4-[1-(4-chlorophenyl)-2-(2-methylpyrazol-3-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
SMILESCn1nccc1-c1c(C2CCN(C(N)=O)CC2)c2ccncc2n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H23ClN6O/c1-28-19(7-11-27-28)22-21(15-8-12-29(13-9-15)23(25)31)18-6-10-26-14-20(18)30(22)17-4-2-16(24)3-5-17/h2-7,10-11,14-15H,8-9,12-13H2,1H3,(H2,25,31)
InChIKeyAJJVTOMIBFGUBX-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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)-2-(2-methylpyrazol-3-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
The IUPAC name of 4-[1-(4-chlorophenyl)-2-(2-methylpyrazol-3-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide (CID 86269068) is 4-[1-(4-chlorophenyl)-2-(2-methylpyrazol-3-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[1-(4-chlorophenyl)-2-(2-methylpyrazol-3-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-[1-(4-chlorophenyl)-2-(2-methylpyrazol-3-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide is Cn1nccc1-c1c(C2CCN(C(N)=O)CC2)c2ccncc2n1-c1ccc(Cl)cc1.
What is the InChIKey of 4-[1-(4-chlorophenyl)-2-(2-methylpyrazol-3-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
The InChIKey is AJJVTOMIBFGUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O/c1-28-19(7-11-27-28)22-21(15-8-12-29(13-9-15)23(25)31)18-6-10-26-14-20(18)30(22)17-4-2-16(24)3-5-17/h2-7,10-11,14-15H,8-9,12-13H2,1H3,(H2,25,31).
What are the key properties of 4-[1-(4-chlorophenyl)-2-(2-methylpyrazol-3-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
4-[1-(4-chlorophenyl)-2-(2-methylpyrazol-3-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-(2-methylpyrazol-3-yl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 86269068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).