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

C32H39F3N6O3 — CID 142300383

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

2-(2-ethyl-2H-pyrrol-3-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide (PubChem CID 142300383) has the molecular formula C32H39F3N6O3 and a molecular weight of 612.70 g/mol. Its IUPAC name is 2-(2-ethyl-2H-pyrrol-3-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide.

Molecular Properties

• Compound Name: 2-(2-ethyl-2H-pyrrol-3-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
• PubChem CID: 142300383
• Molecular Formula: C32H39F3N6O3
• Molecular Weight: 612.70 g/mol
• Exact Mass: 612.30
• IUPAC Name: 2-(2-ethyl-2H-pyrrol-3-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
• SMILES: CCC1N=CC=C1c1cc2cc(C(=O)NCc3c(OC)cc(C)[nH]c3=O)c(C)c(C(C)N3CCN(CC(F)(F)F)CC3)n2c1
• InChI: InChI=1S/C32H39F3N6O3/c1-6-27-24(7-8-36-27)22-14-23-15-25(30(42)37-16-26-28(44-5)13-19(2)38-31(26)43)20(3)29(41(23)17-22)21(4)40-11-9-39(10-12-40)18-32(33,34)35/h7-8,13-15,17,21,27H,6,9-12,16,18H2,1-5H3,(H,37,42)(H,38,43)
• InChIKey: RKXILSZCWWIYRJ-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 94.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	612.70
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-(2-ethyl-2H-pyrrol-3-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide (CID 142300383) is 2-(2-ethyl-2H-pyrrol-3-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide.

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

The canonical SMILES for 2-(2-ethyl-2H-pyrrol-3-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide is CCC1N=CC=C1c1cc2cc(C(=O)NCc3c(OC)cc(C)[nH]c3=O)c(C)c(C(C)N3CCN(CC(F)(F)F)CC3)n2c1.

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

The InChIKey is RKXILSZCWWIYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39F3N6O3/c1-6-27-24(7-8-36-27)22-14-23-15-25(30(42)37-16-26-28(44-5)13-19(2)38-31(26)43)20(3)29(41(23)17-22)21(4)40-11-9-39(10-12-40)18-32(33,34)35/h7-8,13-15,17,21,27H,6,9-12,16,18H2,1-5H3,(H,37,42)(H,38,43).

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

2-(2-ethyl-2H-pyrrol-3-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide has a molecular weight of 612.70 g/mol, XLogP of 4.67, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-ethyl-2H-pyrrol-3-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide is sourced from PubChem (CID 142300383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).