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

C27H34ClN5O — CID 71516373

IUPAC4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide
SMILESCN1CCC(CN(C)C(=O)N2CCC(c3cn(-c4ccc(Cl)cc4)c4cnccc34)CC2)CC1
InChIInChI=1S/C27H34ClN5O/c1-30-13-8-20(9-14-30)18-31(2)27(34)32-15-10-21(11-16-32)25-19-33(23-5-3-22(28)4-6-23)26-17-29-12-7-24(25)26/h3-7,12,17,19-21H,8-11,13-16,18H2,1-2H3
InChIKeyMXGJJDZHSCJXCF-UHFFFAOYSA-N
MW480.06 g/mol
LogP5.25
Rot. Bonds4

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

4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide (PubChem CID 71516373) has the molecular formula C27H34ClN5O and a molecular weight of 480.06 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide
PubChem CID71516373
Molecular FormulaC27H34ClN5O
Molecular Weight480.06 g/mol
Exact Mass479.25
IUPAC Name4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide
SMILESCN1CCC(CN(C)C(=O)N2CCC(c3cn(-c4ccc(Cl)cc4)c4cnccc34)CC2)CC1
InChIInChI=1S/C27H34ClN5O/c1-30-13-8-20(9-14-30)18-31(2)27(34)32-15-10-21(11-16-32)25-19-33(23-5-3-22(28)4-6-23)26-17-29-12-7-24(25)26/h3-7,12,17,19-21H,8-11,13-16,18H2,1-2H3
InChIKeyMXGJJDZHSCJXCF-UHFFFAOYSA-N
XLogP5.25
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.06
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]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)pyrrolo[2,3-c]pyridin-3-yl]-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide (CID 71516373) is 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide is CN1CCC(CN(C)C(=O)N2CCC(c3cn(-c4ccc(Cl)cc4)c4cnccc34)CC2)CC1.
What is the InChIKey of 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide?
The InChIKey is MXGJJDZHSCJXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34ClN5O/c1-30-13-8-20(9-14-30)18-31(2)27(34)32-15-10-21(11-16-32)25-19-33(23-5-3-22(28)4-6-23)26-17-29-12-7-24(25)26/h3-7,12,17,19-21H,8-11,13-16,18H2,1-2H3.
What are the key properties of 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide?
4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide has a molecular weight of 480.06 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 71516373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).