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

C27H34F3N5O2 — CID 142754848

IUPAC1-(2-methoxy-4-pyridinyl)-6-methyl-N-propan-2-yl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
SMILESCOc1cc(-c2ccn3c(C(C)N4CCN(CC(F)(F)F)CC4)c(C)c(C(=O)NC(C)C)cc23)ccn1
InChIInChI=1S/C27H34F3N5O2/c1-17(2)32-26(36)22-15-23-21(20-6-8-31-24(14-20)37-5)7-9-35(23)25(18(22)3)19(4)34-12-10-33(11-13-34)16-27(28,29)30/h6-9,14-15,17,19H,10-13,16H2,1-5H3,(H,32,36)
InChIKeyJMMIWDSDAWBFJC-UHFFFAOYSA-N
MW517.60 g/mol
LogP4.70
Rot. Bonds7

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

1-(2-methoxy-4-pyridinyl)-6-methyl-N-propan-2-yl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide (PubChem CID 142754848) has the molecular formula C27H34F3N5O2 and a molecular weight of 517.60 g/mol. Its IUPAC name is 1-(2-methoxy-4-pyridinyl)-6-methyl-N-propan-2-yl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide.

Molecular Properties

Compound Name1-(2-methoxy-4-pyridinyl)-6-methyl-N-propan-2-yl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
PubChem CID142754848
Molecular FormulaC27H34F3N5O2
Molecular Weight517.60 g/mol
Exact Mass517.27
IUPAC Name1-(2-methoxy-4-pyridinyl)-6-methyl-N-propan-2-yl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
SMILESCOc1cc(-c2ccn3c(C(C)N4CCN(CC(F)(F)F)CC4)c(C)c(C(=O)NC(C)C)cc23)ccn1
InChIInChI=1S/C27H34F3N5O2/c1-17(2)32-26(36)22-15-23-21(20-6-8-31-24(14-20)37-5)7-9-35(23)25(18(22)3)19(4)34-12-10-33(11-13-34)16-27(28,29)30/h6-9,14-15,17,19H,10-13,16H2,1-5H3,(H,32,36)
InChIKeyJMMIWDSDAWBFJC-UHFFFAOYSA-N
XLogP4.70
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.60
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-methoxy-4-pyridinyl)-6-methyl-N-propan-2-yl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyrrolopyridine, 29
CID 16720207
(4~{S})-4-(2-azanylethyl)-6-phenyl-7-[3-(trifluoromethyloxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-ol
CID 71522495
7-fluoro-3-[4-[4-(6-methoxypyridine-3-carbonyl)piperidin-1-yl]-4-oxobutyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 118507411
1-(4-benzoylpiperazin-1-yl)-2-[7-(6-methoxy-2-pyridyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 5280254
3-oxo-2-(1-pyridin-2-ylpropan-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
CID 44476261
3-oxo-2-(2-pyridin-2-ylethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
CID 44544347
3-oxo-2-(2-pyridin-2-ylethyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-isoindole-1-carboxamide
CID 44544444
3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-2-[[5-(trifluoromethyl)pyridin-2-yl]methyl]-1H-isoindole-1-carboxamide
CID 44544950
2-(2,2-difluoro-2-pyridin-2-ylethyl)-3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
CID 44545053
3-oxo-2-(3-pyridin-2-ylpropyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
CID 44545055
2-(2-methyl-1-pyridin-2-ylpropan-2-yl)-3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
CID 44545168
7-methyl-3-oxo-2-(2-pyridin-2-ylethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
CID 44545169

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-pyridinyl)-6-methyl-N-propan-2-yl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?
The IUPAC name of 1-(2-methoxy-4-pyridinyl)-6-methyl-N-propan-2-yl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide (CID 142754848) is 1-(2-methoxy-4-pyridinyl)-6-methyl-N-propan-2-yl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide.
What is the SMILES notation for 1-(2-methoxy-4-pyridinyl)-6-methyl-N-propan-2-yl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?
The canonical SMILES for 1-(2-methoxy-4-pyridinyl)-6-methyl-N-propan-2-yl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide is COc1cc(-c2ccn3c(C(C)N4CCN(CC(F)(F)F)CC4)c(C)c(C(=O)NC(C)C)cc23)ccn1.
What is the InChIKey of 1-(2-methoxy-4-pyridinyl)-6-methyl-N-propan-2-yl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?
The InChIKey is JMMIWDSDAWBFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34F3N5O2/c1-17(2)32-26(36)22-15-23-21(20-6-8-31-24(14-20)37-5)7-9-35(23)25(18(22)3)19(4)34-12-10-33(11-13-34)16-27(28,29)30/h6-9,14-15,17,19H,10-13,16H2,1-5H3,(H,32,36).
What are the key properties of 1-(2-methoxy-4-pyridinyl)-6-methyl-N-propan-2-yl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide?
1-(2-methoxy-4-pyridinyl)-6-methyl-N-propan-2-yl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide has a molecular weight of 517.60 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-pyridinyl)-6-methyl-N-propan-2-yl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide is sourced from PubChem (CID 142754848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).