2-(7-cyano-1H-indol-5-yl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide

C33H34N6O3 — CID 156907530

About 2-(7-cyano-1H-indol-5-yl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide

2-(7-cyano-1H-indol-5-yl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide (PubChem CID 156907530) has the molecular formula C33H34N6O3 and a molecular weight of 562.67 g/mol. Its IUPAC name is 2-(7-cyano-1H-indol-5-yl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide.

Molecular Properties

• Compound Name: 2-(7-cyano-1H-indol-5-yl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
• PubChem CID: 156907530
• Molecular Formula: C33H34N6O3
• Molecular Weight: 562.67 g/mol
• Exact Mass: 562.27
• IUPAC Name: 2-(7-cyano-1H-indol-5-yl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
• SMILES: CC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cc(-c3cc(C#N)c4[nH]ccc4c3)cn2c(C(C)N2CCOCC2)c1C
• InChI: InChI=1S/C33H34N6O3/c1-19-11-20(2)37-33(41)29(19)17-36-32(40)28-15-27-14-26(24-12-23-5-6-35-30(23)25(13-24)16-34)18-39(27)31(21(28)3)22(4)38-7-9-42-10-8-38/h5-6,11-15,18,22,29,35H,7-10,17H2,1-4H3,(H,36,40)
• InChIKey: ZTKQXYXTVXZMBC-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 114.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.67
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(7-cyano-1H-indol-5-yl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide?

The IUPAC name of 2-(7-cyano-1H-indol-5-yl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide (CID 156907530) is 2-(7-cyano-1H-indol-5-yl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide.

What is the SMILES notation for 2-(7-cyano-1H-indol-5-yl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide?

The canonical SMILES for 2-(7-cyano-1H-indol-5-yl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cc(-c3cc(C#N)c4[nH]ccc4c3)cn2c(C(C)N2CCOCC2)c1C.

What is the InChIKey of 2-(7-cyano-1H-indol-5-yl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide?

The InChIKey is ZTKQXYXTVXZMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N6O3/c1-19-11-20(2)37-33(41)29(19)17-36-32(40)28-15-27-14-26(24-12-23-5-6-35-30(23)25(13-24)16-34)18-39(27)31(21(28)3)22(4)38-7-9-42-10-8-38/h5-6,11-15,18,22,29,35H,7-10,17H2,1-4H3,(H,36,40).

What are the key properties of 2-(7-cyano-1H-indol-5-yl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide?

2-(7-cyano-1H-indol-5-yl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide has a molecular weight of 562.67 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7-cyano-1H-indol-5-yl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide is sourced from PubChem (CID 156907530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).