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

C34H43F3N6O3 — CID 142300803

About N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[(Z)-3-(prop-2-enylideneamino)pent-2-enyl]-5-[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-[(Z)-3-(prop-2-enylideneamino)pent-2-enyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide (PubChem CID 142300803) has the molecular formula C34H43F3N6O3 and a molecular weight of 640.75 g/mol. Its IUPAC name is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[(Z)-3-(prop-2-enylideneamino)pent-2-enyl]-5-[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-[(Z)-3-(prop-2-enylideneamino)pent-2-enyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
• PubChem CID: 142300803
• Molecular Formula: C34H43F3N6O3
• Molecular Weight: 640.75 g/mol
• Exact Mass: 640.33
• IUPAC Name: N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[(Z)-3-(prop-2-enylideneamino)pent-2-enyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
• SMILES: C=C/C=N/C(=C\Cc1ccn2c(C(C)N3CCN(CC(F)(F)F)CC3)c(C)c(C(=O)NCc3c(OC)cc(C)[nH]c3=O)cc12)CC
• InChI: InChI=1S/C34H43F3N6O3/c1-7-12-38-26(8-2)10-9-25-11-13-43-29(25)19-27(32(44)39-20-28-30(46-6)18-22(3)40-33(28)45)23(4)31(43)24(5)42-16-14-41(15-17-42)21-34(35,36)37/h7,10-13,18-19,24H,1,8-9,14-17,20-21H2,2-6H3,(H,39,44)(H,40,45)/b26-10-,38-12+
• InChIKey: ODCSURFPQMWURG-ZJXGCMJBSA-N
• XLogP: 5.52
• TPSA: 94.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	640.75
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[(Z)-3-(prop-2-enylideneamino)pent-2-enyl]-5-[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-[(Z)-3-(prop-2-enylideneamino)pent-2-enyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide (CID 142300803) is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[(Z)-3-(prop-2-enylideneamino)pent-2-enyl]-5-[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-[(Z)-3-(prop-2-enylideneamino)pent-2-enyl]-5-[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-[(Z)-3-(prop-2-enylideneamino)pent-2-enyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide is C=C/C=N/C(=C\Cc1ccn2c(C(C)N3CCN(CC(F)(F)F)CC3)c(C)c(C(=O)NCc3c(OC)cc(C)[nH]c3=O)cc12)CC.

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

The InChIKey is ODCSURFPQMWURG-ZJXGCMJBSA-N. The full InChI is InChI=1S/C34H43F3N6O3/c1-7-12-38-26(8-2)10-9-25-11-13-43-29(25)19-27(32(44)39-20-28-30(46-6)18-22(3)40-33(28)45)23(4)31(43)24(5)42-16-14-41(15-17-42)21-34(35,36)37/h7,10-13,18-19,24H,1,8-9,14-17,20-21H2,2-6H3,(H,39,44)(H,40,45)/b26-10-,38-12+.

What are the key properties of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[(Z)-3-(prop-2-enylideneamino)pent-2-enyl]-5-[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-[(Z)-3-(prop-2-enylideneamino)pent-2-enyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide has a molecular weight of 640.75 g/mol, XLogP of 5.52, 12 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-[(Z)-3-(prop-2-enylideneamino)pent-2-enyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide is sourced from PubChem (CID 142300803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).