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

C32H35F3N6O3 — CID 155423268

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

N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(6-methyl-3-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethenyl]indolizine-7-carboxamide (PubChem CID 155423268) has the molecular formula C32H35F3N6O3 and a molecular weight of 608.67 g/mol. Its IUPAC name is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(6-methyl-3-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethenyl]indolizine-7-carboxamide.

Molecular Properties

• Compound Name: N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(6-methyl-3-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethenyl]indolizine-7-carboxamide
• PubChem CID: 155423268
• Molecular Formula: C32H35F3N6O3
• Molecular Weight: 608.67 g/mol
• Exact Mass: 608.27
• IUPAC Name: N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(6-methyl-3-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethenyl]indolizine-7-carboxamide
• SMILES: C=C(c1c(C)c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)cc2c(-c3ccc(C)nc3)ccn12)N1CCN(CC(F)(F)F)CC1
• InChI: InChI=1S/C32H35F3N6O3/c1-19-6-7-23(16-36-19)24-8-9-41-27(24)15-25(30(42)37-17-26-28(44-5)14-20(2)38-31(26)43)21(3)29(41)22(4)40-12-10-39(11-13-40)18-32(33,34)35/h6-9,14-16H,4,10-13,17-18H2,1-3,5H3,(H,37,42)(H,38,43)
• InChIKey: DFRWTFRFGLLFIW-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 94.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	608.67
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	2
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-(6-methyl-3-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethenyl]indolizine-7-carboxamide?

The IUPAC name of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(6-methyl-3-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethenyl]indolizine-7-carboxamide (CID 155423268) is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(6-methyl-3-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethenyl]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-3-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethenyl]indolizine-7-carboxamide?

The canonical SMILES for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(6-methyl-3-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethenyl]indolizine-7-carboxamide is C=C(c1c(C)c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)cc2c(-c3ccc(C)nc3)ccn12)N1CCN(CC(F)(F)F)CC1.

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

The InChIKey is DFRWTFRFGLLFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F3N6O3/c1-19-6-7-23(16-36-19)24-8-9-41-27(24)15-25(30(42)37-17-26-28(44-5)14-20(2)38-31(26)43)21(3)29(41)22(4)40-12-10-39(11-13-40)18-32(33,34)35/h6-9,14-16H,4,10-13,17-18H2,1-3,5H3,(H,37,42)(H,38,43).

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

N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(6-methyl-3-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethenyl]indolizine-7-carboxamide has a molecular weight of 608.67 g/mol, XLogP of 4.70, 8 rotatable bonds, 2 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-(6-methyl-3-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethenyl]indolizine-7-carboxamide is sourced from PubChem (CID 155423268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).