N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxamide

C25H29N5O3 — CID 156907477

About N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxamide

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxamide (PubChem CID 156907477) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxamide
• PubChem CID: 156907477
• Molecular Formula: C25H29N5O3
• Molecular Weight: 447.54 g/mol
• Exact Mass: 447.23
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxamide
• SMILES: CC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cccn2c(C(C)OCc2ccnn2C)c1C
• InChI: InChI=1S/C25H29N5O3/c1-15-11-16(2)28-25(32)22(15)13-26-24(31)21-12-19-7-6-10-30(19)23(17(21)3)18(4)33-14-20-8-9-27-29(20)5/h6-12,18,22H,13-14H2,1-5H3,(H,26,31)
• InChIKey: AVLSGQXLARRHRA-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 89.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.54
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxamide (CID 156907477) is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxamide.

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

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc2cccn2c(C(C)OCc2ccnn2C)c1C.

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

The InChIKey is AVLSGQXLARRHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-15-11-16(2)28-25(32)22(15)13-26-24(31)21-12-19-7-6-10-30(19)23(17(21)3)18(4)33-14-20-8-9-27-29(20)5/h6-12,18,22H,13-14H2,1-5H3,(H,26,31).

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

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-[(2-methylpyrazol-3-yl)methoxy]ethyl]indolizine-7-carboxamide is sourced from PubChem (CID 156907477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).