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

C29H34F3N7O2 — CID 156907585

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

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(3-methylimidazol-4-yl)-5-[1-[4-(trifluoromethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide (PubChem CID 156907585) has the molecular formula C29H34F3N7O2 and a molecular weight of 569.63 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(3-methylimidazol-4-yl)-5-[1-[4-(trifluoromethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(3-methylimidazol-4-yl)-5-[1-[4-(trifluoromethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
• PubChem CID: 156907585
• Molecular Formula: C29H34F3N7O2
• Molecular Weight: 569.63 g/mol
• Exact Mass: 569.27
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(3-methylimidazol-4-yl)-5-[1-[4-(trifluoromethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
• SMILES: CC1=CC(C)=NC(=O)C1CNC(=O)c1cc2c(-c3cncn3C)ccn2c(C(C)N2CCN(C(F)(F)F)CC2)c1C
• InChI: InChI=1S/C29H34F3N7O2/c1-17-12-18(2)35-28(41)23(17)14-34-27(40)22-13-24-21(25-15-33-16-36(25)5)6-7-39(24)26(19(22)3)20(4)37-8-10-38(11-9-37)29(30,31)32/h6-7,12-13,15-16,20,23H,8-11,14H2,1-5H3,(H,34,40)
• InChIKey: XZSITIIUGYRHIT-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 87.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.63
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(3-methylimidazol-4-yl)-5-[1-[4-(trifluoromethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide (CID 156907585) is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(3-methylimidazol-4-yl)-5-[1-[4-(trifluoromethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide.

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

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(3-methylimidazol-4-yl)-5-[1-[4-(trifluoromethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc2c(-c3cncn3C)ccn2c(C(C)N2CCN(C(F)(F)F)CC2)c1C.

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

The InChIKey is XZSITIIUGYRHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F3N7O2/c1-17-12-18(2)35-28(41)23(17)14-34-27(40)22-13-24-21(25-15-33-16-36(25)5)6-7-39(24)26(19(22)3)20(4)37-8-10-38(11-9-37)29(30,31)32/h6-7,12-13,15-16,20,23H,8-11,14H2,1-5H3,(H,34,40).

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

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(3-methylimidazol-4-yl)-5-[1-[4-(trifluoromethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide has a molecular weight of 569.63 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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-1-(3-methylimidazol-4-yl)-5-[1-[4-(trifluoromethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide is sourced from PubChem (CID 156907585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).