1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(6-methoxy-4-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

C31H37F3N6O4 — CID 156907605

IUPAC1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(6-methoxy-4-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=NC(=O)C(CNC(=O)c2cc3c(-c4c(C)noc4C)ccn3c([C@H](C)N3CCN(CC(F)(F)F)CC3)c2C)C(C)=C1
InChIInChI=1S/C31H37F3N6O4/c1-17-13-26(43-6)36-30(42)24(17)15-35-29(41)23-14-25-22(27-19(3)37-44-21(27)5)7-8-40(25)28(18(23)2)20(4)39-11-9-38(10-12-39)16-31(32,33)34/h7-8,13-14,20,24H,9-12,15-16H2,1-6H3,(H,35,41)/t20-,24?/m0/s1
InChIKeyRALTVEXJRIINJZ-QHELBMECSA-N
MW614.67 g/mol
LogP4.64
Rot. Bonds7

About 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(6-methoxy-4-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-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(6-methoxy-4-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 156907605) has the molecular formula C31H37F3N6O4 and a molecular weight of 614.67 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(6-methoxy-4-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-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(6-methoxy-4-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 CID156907605
Molecular FormulaC31H37F3N6O4
Molecular Weight614.67 g/mol
Exact Mass614.28
IUPAC Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(6-methoxy-4-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=NC(=O)C(CNC(=O)c2cc3c(-c4c(C)noc4C)ccn3c([C@H](C)N3CCN(CC(F)(F)F)CC3)c2C)C(C)=C1
InChIInChI=1S/C31H37F3N6O4/c1-17-13-26(43-6)36-30(42)24(17)15-35-29(41)23-14-25-22(27-19(3)37-44-21(27)5)7-8-40(25)28(18(23)2)20(4)39-11-9-38(10-12-39)16-31(32,33)34/h7-8,13-14,20,24H,9-12,15-16H2,1-6H3,(H,35,41)/t20-,24?/m0/s1
InChIKeyRALTVEXJRIINJZ-QHELBMECSA-N
XLogP4.64
TPSA104.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500614.67
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(6-methoxy-4-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-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(6-methoxy-4-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-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(6-methoxy-4-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 156907605) is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(6-methoxy-4-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-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(6-methoxy-4-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-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(6-methoxy-4-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=NC(=O)C(CNC(=O)c2cc3c(-c4c(C)noc4C)ccn3c([C@H](C)N3CCN(CC(F)(F)F)CC3)c2C)C(C)=C1.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(6-methoxy-4-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 RALTVEXJRIINJZ-QHELBMECSA-N. The full InChI is InChI=1S/C31H37F3N6O4/c1-17-13-26(43-6)36-30(42)24(17)15-35-29(41)23-14-25-22(27-19(3)37-44-21(27)5)7-8-40(25)28(18(23)2)20(4)39-11-9-38(10-12-39)16-31(32,33)34/h7-8,13-14,20,24H,9-12,15-16H2,1-6H3,(H,35,41)/t20-,24?/m0/s1.
What are the key properties of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(6-methoxy-4-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-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(6-methoxy-4-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 614.67 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(6-methoxy-4-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 156907605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).