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

C33H39F3N6O3 — CID 156907614

IUPAC1-(2,6-dimethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
SMILESCOC1=CC(C)=NC(=O)C1CNC(=O)c1cc2c(-c3cc(C)nc(C)c3)ccn2c([C@H](C)N2CCN(CC(F)(F)F)CC2)c1C
InChIInChI=1S/C33H39F3N6O3/c1-19-13-24(14-20(2)38-19)25-7-8-42-28(25)16-26(31(43)37-17-27-29(45-6)15-21(3)39-32(27)44)22(4)30(42)23(5)41-11-9-40(10-12-41)18-33(34,35)36/h7-8,13-16,23,27H,9-12,17-18H2,1-6H3,(H,37,43)/t23-,27?/m0/s1
InChIKeySAFNSXJPUHPVCI-DCCUJTHKSA-N
MW624.71 g/mol
LogP5.04
Rot. Bonds8

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

1-(2,6-dimethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide (PubChem CID 156907614) has the molecular formula C33H39F3N6O3 and a molecular weight of 624.71 g/mol. Its IUPAC name is 1-(2,6-dimethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide.

Molecular Properties

Compound Name1-(2,6-dimethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
PubChem CID156907614
Molecular FormulaC33H39F3N6O3
Molecular Weight624.71 g/mol
Exact Mass624.30
IUPAC Name1-(2,6-dimethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
SMILESCOC1=CC(C)=NC(=O)C1CNC(=O)c1cc2c(-c3cc(C)nc(C)c3)ccn2c([C@H](C)N2CCN(CC(F)(F)F)CC2)c1C
InChIInChI=1S/C33H39F3N6O3/c1-19-13-24(14-20(2)38-19)25-7-8-42-28(25)16-26(31(43)37-17-27-29(45-6)15-21(3)39-32(27)44)22(4)30(42)23(5)41-11-9-40(10-12-41)18-33(34,35)36/h7-8,13-16,23,27H,9-12,17-18H2,1-6H3,(H,37,43)/t23-,27?/m0/s1
InChIKeySAFNSXJPUHPVCI-DCCUJTHKSA-N
XLogP5.04
TPSA91.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.71
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(2,6-dimethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?
The IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide (CID 156907614) is 1-(2,6-dimethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide.
What is the SMILES notation for 1-(2,6-dimethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?
The canonical SMILES for 1-(2,6-dimethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide is COC1=CC(C)=NC(=O)C1CNC(=O)c1cc2c(-c3cc(C)nc(C)c3)ccn2c([C@H](C)N2CCN(CC(F)(F)F)CC2)c1C.
What is the InChIKey of 1-(2,6-dimethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?
The InChIKey is SAFNSXJPUHPVCI-DCCUJTHKSA-N. The full InChI is InChI=1S/C33H39F3N6O3/c1-19-13-24(14-20(2)38-19)25-7-8-42-28(25)16-26(31(43)37-17-27-29(45-6)15-21(3)39-32(27)44)22(4)30(42)23(5)41-11-9-40(10-12-41)18-33(34,35)36/h7-8,13-16,23,27H,9-12,17-18H2,1-6H3,(H,37,43)/t23-,27?/m0/s1.
What are the key properties of 1-(2,6-dimethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?
1-(2,6-dimethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide has a molecular weight of 624.71 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-4-pyridinyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide is sourced from PubChem (CID 156907614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).