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

C32H35F4N5O3 — CID 156907606

IUPAC1-(4-fluorophenyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
SMILESCOC1=CC(C)=NC(=O)C1CNC(=O)c1cc2c(-c3ccc(F)cc3)ccn2c(C(C)N2CCN(CC(F)(F)F)CC2)c1C
InChIInChI=1S/C32H35F4N5O3/c1-19-15-28(44-4)26(31(43)38-19)17-37-30(42)25-16-27-24(22-5-7-23(33)8-6-22)9-10-41(27)29(20(25)2)21(3)40-13-11-39(12-14-40)18-32(34,35)36/h5-10,15-16,21,26H,11-14,17-18H2,1-4H3,(H,37,42)
InChIKeySECMWWUQGICSGS-UHFFFAOYSA-N
MW613.66 g/mol
LogP5.17
Rot. Bonds8

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

1-(4-fluorophenyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide (PubChem CID 156907606) has the molecular formula C32H35F4N5O3 and a molecular weight of 613.66 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
PubChem CID156907606
Molecular FormulaC32H35F4N5O3
Molecular Weight613.66 g/mol
Exact Mass613.27
IUPAC Name1-(4-fluorophenyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
SMILESCOC1=CC(C)=NC(=O)C1CNC(=O)c1cc2c(-c3ccc(F)cc3)ccn2c(C(C)N2CCN(CC(F)(F)F)CC2)c1C
InChIInChI=1S/C32H35F4N5O3/c1-19-15-28(44-4)26(31(43)38-19)17-37-30(42)25-16-27-24(22-5-7-23(33)8-6-22)9-10-41(27)29(20(25)2)21(3)40-13-11-39(12-14-40)18-32(34,35)36/h5-10,15-16,21,26H,11-14,17-18H2,1-4H3,(H,37,42)
InChIKeySECMWWUQGICSGS-UHFFFAOYSA-N
XLogP5.17
TPSA78.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.66
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide (CID 156907606) is 1-(4-fluorophenyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-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 1-(4-fluorophenyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide is COC1=CC(C)=NC(=O)C1CNC(=O)c1cc2c(-c3ccc(F)cc3)ccn2c(C(C)N2CCN(CC(F)(F)F)CC2)c1C.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?
The InChIKey is SECMWWUQGICSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F4N5O3/c1-19-15-28(44-4)26(31(43)38-19)17-37-30(42)25-16-27-24(22-5-7-23(33)8-6-22)9-10-41(27)29(20(25)2)21(3)40-13-11-39(12-14-40)18-32(34,35)36/h5-10,15-16,21,26H,11-14,17-18H2,1-4H3,(H,37,42).
What are the key properties of 1-(4-fluorophenyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?
1-(4-fluorophenyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-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 613.66 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(4-methoxy-6-methyl-2-oxo-3H-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 156907606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).