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

C32H41F3N6O4 — CID 156907627

IUPACN-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
SMILESCOc1cc(-c2ccn3c([C@H](C)N4CCN(CC(F)(F)F)CC4)c(C)c(C(=O)NCC4C(=O)NC(C)CC4OC)cc23)ccn1
InChIInChI=1S/C32H41F3N6O4/c1-19-14-27(44-4)25(31(43)38-19)17-37-30(42)24-16-26-23(22-6-8-36-28(15-22)45-5)7-9-41(26)29(20(24)2)21(3)40-12-10-39(11-13-40)18-32(33,34)35/h6-9,15-16,19,21,25,27H,10-14,17-18H2,1-5H3,(H,37,42)(H,38,43)/t19?,21-,25?,27?/m0/s1
InChIKeyPIFJFSRFKPZANQ-JMASQLCUSA-N
MW630.71 g/mol
LogP3.83
Rot. Bonds9

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

N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide (PubChem CID 156907627) has the molecular formula C32H41F3N6O4 and a molecular weight of 630.71 g/mol. Its IUPAC name is N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[(1S)-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]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
PubChem CID156907627
Molecular FormulaC32H41F3N6O4
Molecular Weight630.71 g/mol
Exact Mass630.31
IUPAC NameN-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
SMILESCOc1cc(-c2ccn3c([C@H](C)N4CCN(CC(F)(F)F)CC4)c(C)c(C(=O)NCC4C(=O)NC(C)CC4OC)cc23)ccn1
InChIInChI=1S/C32H41F3N6O4/c1-19-14-27(44-4)25(31(43)38-19)17-37-30(42)24-16-26-23(22-6-8-36-28(15-22)45-5)7-9-41(26)29(20(24)2)21(3)40-12-10-39(11-13-40)18-32(33,34)35/h6-9,15-16,19,21,25,27H,10-14,17-18H2,1-5H3,(H,37,42)(H,38,43)/t19?,21-,25?,27?/m0/s1
InChIKeyPIFJFSRFKPZANQ-JMASQLCUSA-N
XLogP3.83
TPSA100.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500630.71
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[(1S)-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]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide (CID 156907627) is N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[(1S)-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]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[(1S)-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]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide is COc1cc(-c2ccn3c([C@H](C)N4CCN(CC(F)(F)F)CC4)c(C)c(C(=O)NCC4C(=O)NC(C)CC4OC)cc23)ccn1.
What is the InChIKey of N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?
The InChIKey is PIFJFSRFKPZANQ-JMASQLCUSA-N. The full InChI is InChI=1S/C32H41F3N6O4/c1-19-14-27(44-4)25(31(43)38-19)17-37-30(42)24-16-26-23(22-6-8-36-28(15-22)45-5)7-9-41(26)29(20(24)2)21(3)40-12-10-39(11-13-40)18-32(33,34)35/h6-9,15-16,19,21,25,27H,10-14,17-18H2,1-5H3,(H,37,42)(H,38,43)/t19?,21-,25?,27?/m0/s1.
What are the key properties of N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?
N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide has a molecular weight of 630.71 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-1-(2-methoxy-4-pyridinyl)-6-methyl-5-[(1S)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide is sourced from PubChem (CID 156907627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).