5-(2-cyclohexa-1,3-dien-1-yl-2-oxoethyl)-3-methoxy-1,6-dimethyl-4-oxo-N-(1-pyridin-4-ylpiperidin-4-yl)pyrrolo[3,2-c]pyridine-2-carboxamide

C29H33N5O4 — CID 70973231

IUPAC5-(2-cyclohexa-1,3-dien-1-yl-2-oxoethyl)-3-methoxy-1,6-dimethyl-4-oxo-N-(1-pyridin-4-ylpiperidin-4-yl)pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCOc1c(C(=O)NC2CCN(c3ccncc3)CC2)n(C)c2cc(C)n(CC(=O)C3=CC=CCC3)c(=O)c12
InChIInChI=1S/C29H33N5O4/c1-19-17-23-25(29(37)34(19)18-24(35)20-7-5-4-6-8-20)27(38-3)26(32(23)2)28(36)31-21-11-15-33(16-12-21)22-9-13-30-14-10-22/h4-5,7,9-10,13-14,17,21H,6,8,11-12,15-16,18H2,1-3H3,(H,31,36)
InChIKeyGGLUWLCPTQJVHY-UHFFFAOYSA-N
MW515.61 g/mol
LogP3.30
Rot. Bonds7

About 5-(2-cyclohexa-1,3-dien-1-yl-2-oxoethyl)-3-methoxy-1,6-dimethyl-4-oxo-N-(1-pyridin-4-ylpiperidin-4-yl)pyrrolo[3,2-c]pyridine-2-carboxamide

5-(2-cyclohexa-1,3-dien-1-yl-2-oxoethyl)-3-methoxy-1,6-dimethyl-4-oxo-N-(1-pyridin-4-ylpiperidin-4-yl)pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 70973231) has the molecular formula C29H33N5O4 and a molecular weight of 515.61 g/mol. Its IUPAC name is 5-(2-cyclohexa-1,3-dien-1-yl-2-oxoethyl)-3-methoxy-1,6-dimethyl-4-oxo-N-(1-pyridin-4-ylpiperidin-4-yl)pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2-cyclohexa-1,3-dien-1-yl-2-oxoethyl)-3-methoxy-1,6-dimethyl-4-oxo-N-(1-pyridin-4-ylpiperidin-4-yl)pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID70973231
Molecular FormulaC29H33N5O4
Molecular Weight515.61 g/mol
Exact Mass515.25
IUPAC Name5-(2-cyclohexa-1,3-dien-1-yl-2-oxoethyl)-3-methoxy-1,6-dimethyl-4-oxo-N-(1-pyridin-4-ylpiperidin-4-yl)pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCOc1c(C(=O)NC2CCN(c3ccncc3)CC2)n(C)c2cc(C)n(CC(=O)C3=CC=CCC3)c(=O)c12
InChIInChI=1S/C29H33N5O4/c1-19-17-23-25(29(37)34(19)18-24(35)20-7-5-4-6-8-20)27(38-3)26(32(23)2)28(36)31-21-11-15-33(16-12-21)22-9-13-30-14-10-22/h4-5,7,9-10,13-14,17,21H,6,8,11-12,15-16,18H2,1-3H3,(H,31,36)
InChIKeyGGLUWLCPTQJVHY-UHFFFAOYSA-N
XLogP3.30
TPSA98.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.61
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-(2-cyclohexa-1,3-dien-1-yl-2-oxoethyl)-3-methoxy-1,6-dimethyl-4-oxo-N-(1-pyridin-4-ylpiperidin-4-yl)pyrrolo[3,2-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexa-1,3-dien-1-yl-2-oxoethyl)-3-methoxy-1,6-dimethyl-4-oxo-N-(1-pyridin-4-ylpiperidin-4-yl)pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-(2-cyclohexa-1,3-dien-1-yl-2-oxoethyl)-3-methoxy-1,6-dimethyl-4-oxo-N-(1-pyridin-4-ylpiperidin-4-yl)pyrrolo[3,2-c]pyridine-2-carboxamide (CID 70973231) is 5-(2-cyclohexa-1,3-dien-1-yl-2-oxoethyl)-3-methoxy-1,6-dimethyl-4-oxo-N-(1-pyridin-4-ylpiperidin-4-yl)pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-(2-cyclohexa-1,3-dien-1-yl-2-oxoethyl)-3-methoxy-1,6-dimethyl-4-oxo-N-(1-pyridin-4-ylpiperidin-4-yl)pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-(2-cyclohexa-1,3-dien-1-yl-2-oxoethyl)-3-methoxy-1,6-dimethyl-4-oxo-N-(1-pyridin-4-ylpiperidin-4-yl)pyrrolo[3,2-c]pyridine-2-carboxamide is COc1c(C(=O)NC2CCN(c3ccncc3)CC2)n(C)c2cc(C)n(CC(=O)C3=CC=CCC3)c(=O)c12.
What is the InChIKey of 5-(2-cyclohexa-1,3-dien-1-yl-2-oxoethyl)-3-methoxy-1,6-dimethyl-4-oxo-N-(1-pyridin-4-ylpiperidin-4-yl)pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is GGLUWLCPTQJVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O4/c1-19-17-23-25(29(37)34(19)18-24(35)20-7-5-4-6-8-20)27(38-3)26(32(23)2)28(36)31-21-11-15-33(16-12-21)22-9-13-30-14-10-22/h4-5,7,9-10,13-14,17,21H,6,8,11-12,15-16,18H2,1-3H3,(H,31,36).
What are the key properties of 5-(2-cyclohexa-1,3-dien-1-yl-2-oxoethyl)-3-methoxy-1,6-dimethyl-4-oxo-N-(1-pyridin-4-ylpiperidin-4-yl)pyrrolo[3,2-c]pyridine-2-carboxamide?
5-(2-cyclohexa-1,3-dien-1-yl-2-oxoethyl)-3-methoxy-1,6-dimethyl-4-oxo-N-(1-pyridin-4-ylpiperidin-4-yl)pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 515.61 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexa-1,3-dien-1-yl-2-oxoethyl)-3-methoxy-1,6-dimethyl-4-oxo-N-(1-pyridin-4-ylpiperidin-4-yl)pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 70973231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).