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

C28H29ClN6O2 — CID 86268872

IUPAC4-[1-(4-chlorophenyl)-2-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(c2c(-c3ccc(N4CCOCC4)nc3)n(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C28H29ClN6O2/c29-21-2-4-22(5-3-21)35-24-18-31-10-7-23(24)26(19-8-11-34(12-9-19)28(30)36)27(35)20-1-6-25(32-17-20)33-13-15-37-16-14-33/h1-7,10,17-19H,8-9,11-16H2,(H2,30,36)
InChIKeyOHIOTXRHBWRBLU-UHFFFAOYSA-N
MW517.03 g/mol
LogP4.84
Rot. Bonds4

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

4-[1-(4-chlorophenyl)-2-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide (PubChem CID 86268872) has the molecular formula C28H29ClN6O2 and a molecular weight of 517.03 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)-2-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)-2-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
PubChem CID86268872
Molecular FormulaC28H29ClN6O2
Molecular Weight517.03 g/mol
Exact Mass516.20
IUPAC Name4-[1-(4-chlorophenyl)-2-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(c2c(-c3ccc(N4CCOCC4)nc3)n(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C28H29ClN6O2/c29-21-2-4-22(5-3-21)35-24-18-31-10-7-23(24)26(19-8-11-34(12-9-19)28(30)36)27(35)20-1-6-25(32-17-20)33-13-15-37-16-14-33/h1-7,10,17-19H,8-9,11-16H2,(H2,30,36)
InChIKeyOHIOTXRHBWRBLU-UHFFFAOYSA-N
XLogP4.84
TPSA89.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.03
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[1-(4-chlorophenyl)-2-(6-morpholin-4-yl-3-pyridinyl)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-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
The IUPAC name of 4-[1-(4-chlorophenyl)-2-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide (CID 86268872) is 4-[1-(4-chlorophenyl)-2-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[1-(4-chlorophenyl)-2-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-[1-(4-chlorophenyl)-2-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide is NC(=O)N1CCC(c2c(-c3ccc(N4CCOCC4)nc3)n(-c3ccc(Cl)cc3)c3cnccc23)CC1.
What is the InChIKey of 4-[1-(4-chlorophenyl)-2-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
The InChIKey is OHIOTXRHBWRBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN6O2/c29-21-2-4-22(5-3-21)35-24-18-31-10-7-23(24)26(19-8-11-34(12-9-19)28(30)36)27(35)20-1-6-25(32-17-20)33-13-15-37-16-14-33/h1-7,10,17-19H,8-9,11-16H2,(H2,30,36).
What are the key properties of 4-[1-(4-chlorophenyl)-2-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
4-[1-(4-chlorophenyl)-2-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide has a molecular weight of 517.03 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)-2-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 86268872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).