N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-(2-methyl-3-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide

C32H41F3N6O3 — CID 156907609

IUPACN-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-(2-methyl-3-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
SMILESCOC1CC(C)NC(=O)C1CNC(=O)c1cc2c(-c3cccnc3C)ccn2c(C(C)N2CCN(CC(F)(F)F)CC2)c1C
InChIInChI=1S/C32H41F3N6O3/c1-19-15-28(44-5)26(31(43)38-19)17-37-30(42)25-16-27-24(23-7-6-9-36-21(23)3)8-10-41(27)29(20(25)2)22(4)40-13-11-39(12-14-40)18-32(33,34)35/h6-10,16,19,22,26,28H,11-15,17-18H2,1-5H3,(H,37,42)(H,38,43)
InChIKeyPZYVACVFFIZNRH-UHFFFAOYSA-N
MW614.71 g/mol
LogP4.13
Rot. Bonds8

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

N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-(2-methyl-3-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide (PubChem CID 156907609) has the molecular formula C32H41F3N6O3 and a molecular weight of 614.71 g/mol. Its IUPAC name is N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-(2-methyl-3-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-(2-methyl-3-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
PubChem CID156907609
Molecular FormulaC32H41F3N6O3
Molecular Weight614.71 g/mol
Exact Mass614.32
IUPAC NameN-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-(2-methyl-3-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
SMILESCOC1CC(C)NC(=O)C1CNC(=O)c1cc2c(-c3cccnc3C)ccn2c(C(C)N2CCN(CC(F)(F)F)CC2)c1C
InChIInChI=1S/C32H41F3N6O3/c1-19-15-28(44-5)26(31(43)38-19)17-37-30(42)25-16-27-24(23-7-6-9-36-21(23)3)8-10-41(27)29(20(25)2)22(4)40-13-11-39(12-14-40)18-32(33,34)35/h6-10,16,19,22,26,28H,11-15,17-18H2,1-5H3,(H,37,42)(H,38,43)
InChIKeyPZYVACVFFIZNRH-UHFFFAOYSA-N
XLogP4.13
TPSA91.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500614.71
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-(2-methyl-3-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?
The IUPAC name of N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-(2-methyl-3-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide (CID 156907609) is N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-(2-methyl-3-pyridinyl)-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-oxopiperidin-3-yl)methyl]-6-methyl-1-(2-methyl-3-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?
The canonical SMILES for N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-(2-methyl-3-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide is COC1CC(C)NC(=O)C1CNC(=O)c1cc2c(-c3cccnc3C)ccn2c(C(C)N2CCN(CC(F)(F)F)CC2)c1C.
What is the InChIKey of N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-(2-methyl-3-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?
The InChIKey is PZYVACVFFIZNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41F3N6O3/c1-19-15-28(44-5)26(31(43)38-19)17-37-30(42)25-16-27-24(23-7-6-9-36-21(23)3)8-10-41(27)29(20(25)2)22(4)40-13-11-39(12-14-40)18-32(33,34)35/h6-10,16,19,22,26,28H,11-15,17-18H2,1-5H3,(H,37,42)(H,38,43).
What are the key properties of N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-(2-methyl-3-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?
N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-(2-methyl-3-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide has a molecular weight of 614.71 g/mol, XLogP of 4.13, 8 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-oxopiperidin-3-yl)methyl]-6-methyl-1-(2-methyl-3-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide is sourced from PubChem (CID 156907609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).