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

C32H42F3N7O3 — CID 156907607

IUPACN-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
SMILESCNc1ccc(-c2ccn3c(C(C)N4CCN(CC(F)(F)F)CC4)c(C)c(C(=O)NCC4C(=O)NC(C)CC4OC)cc23)cn1
InChIInChI=1S/C32H42F3N7O3/c1-19-14-27(45-5)25(31(44)39-19)17-38-30(43)24-15-26-23(22-6-7-28(36-4)37-16-22)8-9-42(26)29(20(24)2)21(3)41-12-10-40(11-13-41)18-32(33,34)35/h6-9,15-16,19,21,25,27H,10-14,17-18H2,1-5H3,(H,36,37)(H,38,43)(H,39,44)
InChIKeyMHBDSUTWDWJFIP-UHFFFAOYSA-N
MW629.73 g/mol
LogP3.86
Rot. Bonds9

About N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-[6-(methylamino)-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-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide (PubChem CID 156907607) has the molecular formula C32H42F3N7O3 and a molecular weight of 629.73 g/mol. Its IUPAC name is N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-[6-(methylamino)-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-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
PubChem CID156907607
Molecular FormulaC32H42F3N7O3
Molecular Weight629.73 g/mol
Exact Mass629.33
IUPAC NameN-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
SMILESCNc1ccc(-c2ccn3c(C(C)N4CCN(CC(F)(F)F)CC4)c(C)c(C(=O)NCC4C(=O)NC(C)CC4OC)cc23)cn1
InChIInChI=1S/C32H42F3N7O3/c1-19-14-27(45-5)25(31(44)39-19)17-38-30(43)24-15-26-23(22-6-7-28(36-4)37-16-22)8-9-42(26)29(20(24)2)21(3)41-12-10-40(11-13-41)18-32(33,34)35/h6-9,15-16,19,21,25,27H,10-14,17-18H2,1-5H3,(H,36,37)(H,38,43)(H,39,44)
InChIKeyMHBDSUTWDWJFIP-UHFFFAOYSA-N
XLogP3.86
TPSA103.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500629.73
LogP ≤ 53.86
H-Bond Donors ≤ 53
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]-6-methyl-1-[6-(methylamino)-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-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide (CID 156907607) is N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-[6-(methylamino)-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-[6-(methylamino)-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-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide is CNc1ccc(-c2ccn3c(C(C)N4CCN(CC(F)(F)F)CC4)c(C)c(C(=O)NCC4C(=O)NC(C)CC4OC)cc23)cn1.
What is the InChIKey of N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?
The InChIKey is MHBDSUTWDWJFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42F3N7O3/c1-19-14-27(45-5)25(31(44)39-19)17-38-30(43)24-15-26-23(22-6-7-28(36-4)37-16-22)8-9-42(26)29(20(24)2)21(3)41-12-10-40(11-13-41)18-32(33,34)35/h6-9,15-16,19,21,25,27H,10-14,17-18H2,1-5H3,(H,36,37)(H,38,43)(H,39,44).
What are the key properties of N-[(4-methoxy-6-methyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-[6-(methylamino)-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-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide has a molecular weight of 629.73 g/mol, XLogP of 3.86, 9 rotatable bonds, 3 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]-6-methyl-1-[6-(methylamino)-3-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide is sourced from PubChem (CID 156907607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).