N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(6-methyl-1,2-dihydropyridazin-3-yl)-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide

C31H38F3N7O3 — CID 139395092

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

N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(6-methyl-1,2-dihydropyridazin-3-yl)-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide (PubChem CID 139395092) has the molecular formula C31H38F3N7O3 and a molecular weight of 613.69 g/mol. Its IUPAC name is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(6-methyl-1,2-dihydropyridazin-3-yl)-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide.

Molecular Properties

• Compound Name: N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(6-methyl-1,2-dihydropyridazin-3-yl)-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
• PubChem CID: 139395092
• Molecular Formula: C31H38F3N7O3
• Molecular Weight: 613.69 g/mol
• Exact Mass: 613.30
• IUPAC Name: N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(6-methyl-1,2-dihydropyridazin-3-yl)-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
• SMILES: COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(C3=CC=C(C)NN3)ccn2c([C@H](C)N2CCN(CC(F)(F)F)CC2)c1C
• InChI: InChI=1S/C31H38F3N7O3/c1-18-6-7-25(38-37-18)22-8-9-41-26(22)15-23(29(42)35-16-24-27(44-5)14-19(2)36-30(24)43)20(3)28(41)21(4)40-12-10-39(11-13-40)17-31(32,33)34/h6-9,14-15,21,37-38H,10-13,16-17H2,1-5H3,(H,35,42)(H,36,43)/t21-/m0/s1
• InChIKey: PCMABLPYDCGAHW-NRFANRHFSA-N
• XLogP: 3.78
• TPSA: 106.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	613.69
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(6-methyl-1,2-dihydropyridazin-3-yl)-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide (CID 139395092) is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(6-methyl-1,2-dihydropyridazin-3-yl)-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide.

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

The canonical SMILES for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(6-methyl-1,2-dihydropyridazin-3-yl)-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide is COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2c(C3=CC=C(C)NN3)ccn2c([C@H](C)N2CCN(CC(F)(F)F)CC2)c1C.

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

The InChIKey is PCMABLPYDCGAHW-NRFANRHFSA-N. The full InChI is InChI=1S/C31H38F3N7O3/c1-18-6-7-25(38-37-18)22-8-9-41-26(22)15-23(29(42)35-16-24-27(44-5)14-19(2)36-30(24)43)20(3)28(41)21(4)40-12-10-39(11-13-40)17-31(32,33)34/h6-9,14-15,21,37-38H,10-13,16-17H2,1-5H3,(H,35,42)(H,36,43)/t21-/m0/s1.

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

N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(6-methyl-1,2-dihydropyridazin-3-yl)-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide has a molecular weight of 613.69 g/mol, XLogP of 3.78, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(6-methyl-1,2-dihydropyridazin-3-yl)-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide is sourced from PubChem (CID 139395092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).