4-[1-(4-chlorophenyl)-2-(6-methoxy-3-pyridinyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide

C25H24ClN5O2 — CID 86268869

IUPAC4-[1-(4-chlorophenyl)-2-(6-methoxy-3-pyridinyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
SMILESCOc1ccc(-c2c(C3CCN(C(N)=O)CC3)c3ccncc3n2-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C25H24ClN5O2/c1-33-22-7-2-17(14-29-22)24-23(16-9-12-30(13-10-16)25(27)32)20-8-11-28-15-21(20)31(24)19-5-3-18(26)4-6-19/h2-8,11,14-16H,9-10,12-13H2,1H3,(H2,27,32)
InChIKeyPGKHRUPYKHKCBQ-UHFFFAOYSA-N
MW461.95 g/mol
LogP5.01
Rot. Bonds4

About 4-[1-(4-chlorophenyl)-2-(6-methoxy-3-pyridinyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide

4-[1-(4-chlorophenyl)-2-(6-methoxy-3-pyridinyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide (PubChem CID 86268869) has the molecular formula C25H24ClN5O2 and a molecular weight of 461.95 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)-2-(6-methoxy-3-pyridinyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)-2-(6-methoxy-3-pyridinyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
PubChem CID86268869
Molecular FormulaC25H24ClN5O2
Molecular Weight461.95 g/mol
Exact Mass461.16
IUPAC Name4-[1-(4-chlorophenyl)-2-(6-methoxy-3-pyridinyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
SMILESCOc1ccc(-c2c(C3CCN(C(N)=O)CC3)c3ccncc3n2-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C25H24ClN5O2/c1-33-22-7-2-17(14-29-22)24-23(16-9-12-30(13-10-16)25(27)32)20-8-11-28-15-21(20)31(24)19-5-3-18(26)4-6-19/h2-8,11,14-16H,9-10,12-13H2,1H3,(H2,27,32)
InChIKeyPGKHRUPYKHKCBQ-UHFFFAOYSA-N
XLogP5.01
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.95
LogP ≤ 55.01
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-(6-methoxy-3-pyridinyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
The IUPAC name of 4-[1-(4-chlorophenyl)-2-(6-methoxy-3-pyridinyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide (CID 86268869) is 4-[1-(4-chlorophenyl)-2-(6-methoxy-3-pyridinyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[1-(4-chlorophenyl)-2-(6-methoxy-3-pyridinyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-[1-(4-chlorophenyl)-2-(6-methoxy-3-pyridinyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide is COc1ccc(-c2c(C3CCN(C(N)=O)CC3)c3ccncc3n2-c2ccc(Cl)cc2)cn1.
What is the InChIKey of 4-[1-(4-chlorophenyl)-2-(6-methoxy-3-pyridinyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
The InChIKey is PGKHRUPYKHKCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O2/c1-33-22-7-2-17(14-29-22)24-23(16-9-12-30(13-10-16)25(27)32)20-8-11-28-15-21(20)31(24)19-5-3-18(26)4-6-19/h2-8,11,14-16H,9-10,12-13H2,1H3,(H2,27,32).
What are the key properties of 4-[1-(4-chlorophenyl)-2-(6-methoxy-3-pyridinyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
4-[1-(4-chlorophenyl)-2-(6-methoxy-3-pyridinyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide has a molecular weight of 461.95 g/mol, XLogP of 5.01, 4 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-(6-methoxy-3-pyridinyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 86268869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).