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

C33H39F3N6O3 — CID 139311162

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

N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]-5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indolizine-7-carboxamide (PubChem CID 139311162) has the molecular formula C33H39F3N6O3 and a molecular weight of 624.71 g/mol. Its IUPAC name is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]-5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indolizine-7-carboxamide.

Molecular Properties

• Compound Name: N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]-5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indolizine-7-carboxamide
• PubChem CID: 139311162
• Molecular Formula: C33H39F3N6O3
• Molecular Weight: 624.71 g/mol
• Exact Mass: 624.30
• IUPAC Name: N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]-5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indolizine-7-carboxamide
• SMILES: CNc1cc(-c2ccn3c(C(C)C4CCN(CC(F)(F)F)CC4)c(C)c(C(=O)NCc4c(OC)cc(C)[nH]c4=O)cc23)ccn1
• InChI: InChI=1S/C33H39F3N6O3/c1-19-14-28(45-5)26(32(44)40-19)17-39-31(43)25-16-27-24(23-6-10-38-29(15-23)37-4)9-13-42(27)30(21(25)3)20(2)22-7-11-41(12-8-22)18-33(34,35)36/h6,9-10,13-16,20,22H,7-8,11-12,17-18H2,1-5H3,(H,37,38)(H,39,43)(H,40,44)
• InChIKey: CGVTYZALMIJLJP-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 103.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	624.71
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]-5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indolizine-7-carboxamide (CID 139311162) is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]-5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-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-[2-(methylamino)-4-pyridinyl]-5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indolizine-7-carboxamide?

The canonical SMILES for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]-5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indolizine-7-carboxamide is CNc1cc(-c2ccn3c(C(C)C4CCN(CC(F)(F)F)CC4)c(C)c(C(=O)NCc4c(OC)cc(C)[nH]c4=O)cc23)ccn1.

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

The InChIKey is CGVTYZALMIJLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39F3N6O3/c1-19-14-28(45-5)26(32(44)40-19)17-39-31(43)25-16-27-24(23-6-10-38-29(15-23)37-4)9-13-42(27)30(21(25)3)20(2)22-7-11-41(12-8-22)18-33(34,35)36/h6,9-10,13-16,20,22H,7-8,11-12,17-18H2,1-5H3,(H,37,38)(H,39,43)(H,40,44).

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

N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]-5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indolizine-7-carboxamide has a molecular weight of 624.71 g/mol, XLogP of 5.66, 9 rotatable bonds, 3 hydrogen bond donors, and 7 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-[2-(methylamino)-4-pyridinyl]-5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indolizine-7-carboxamide is sourced from PubChem (CID 139311162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).