N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide

C₃₂H₄₂F₃N₇O₃ — CID 156907619

About N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide

N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide (PubChem CID 156907619) has the molecular formula C₃₂H₄₂F₃N₇O₃ and a molecular weight of 629.73 g/mol. Its IUPAC name is N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]-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-oxopiperidin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
• PubChem CID: 156907619
• Molecular Formula: C₃₂H₄₂F₃N₇O₃
• Molecular Weight: 629.73 g/mol
• Exact Mass: 629.33
• IUPAC Name: N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
• SMILES: CNc1cc(-c2ccn3c([C@H](C)N4CCN(CC(F)(F)F)CC4)c(C)c(C(=O)NCC4C(=O)NC(C)CC4OC)cc23)ccn1
• InChI: InChI=1S/C32H42F3N7O3/c1-19-14-27(45-5)25(31(44)39-19)17-38-30(43)24-16-26-23(22-6-8-37-28(15-22)36-4)7-9-42(26)29(20(24)2)21(3)41-12-10-40(11-13-41)18-32(33,34)35/h6-9,15-16,19,21,25,27H,10-14,17-18H2,1-5H3,(H,36,37)(H,38,43)(H,39,44)/t19?,21-,25?,27?/m0/s1
• InChIKey: URQVEEIMNYKJPK-JMASQLCUSA-N
• XLogP: 3.86
• TPSA: 103.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	629.73
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]-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-oxopiperidin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide (CID 156907619) is N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]-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-oxopiperidin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]-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-oxopiperidin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide is CNc1cc(-c2ccn3c([C@H](C)N4CCN(CC(F)(F)F)CC4)c(C)c(C(=O)NCC4C(=O)NC(C)CC4OC)cc23)ccn1.

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

The InChIKey is URQVEEIMNYKJPK-JMASQLCUSA-N. The full InChI is InChI=1S/C32H42F3N7O3/c1-19-14-27(45-5)25(31(44)39-19)17-38-30(43)24-16-26-23(22-6-8-37-28(15-22)36-4)7-9-42(26)29(20(24)2)21(3)41-12-10-40(11-13-41)18-32(33,34)35/h6-9,15-16,19,21,25,27H,10-14,17-18H2,1-5H3,(H,36,37)(H,38,43)(H,39,44)/t19?,21-,25?,27?/m0/s1.

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

N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide has a molecular weight of 629.73 g/mol, XLogP of 3.86, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide is sourced from PubChem (CID 156907619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156907619 — identifiers, structure, computed properties (public domain)

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