2-methyl-8-[8-[1-oxo-8-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decan-3-yl]-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C32H31F6N9O2 — CID 145391102

IUPAC2-methyl-8-[8-[1-oxo-8-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decan-3-yl]-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCC1=NC2(CCN(c3cc(C(F)(F)F)c(C4CC5(CCN(c6cc(C(F)(F)F)cc7cncn67)CC5)C(=O)N4)c4cncn34)CC2)C(=O)N1
InChIInChI=1S/C32H31F6N9O2/c1-18-41-28(49)30(43-18)4-8-45(9-5-30)25-12-21(32(36,37)38)26(23-15-40-17-47(23)25)22-13-29(27(48)42-22)2-6-44(7-3-29)24-11-19(31(33,34)35)10-20-14-39-16-46(20)24/h10-12,14-17,22H,2-9,13H2,1H3,(H,42,48)(H,41,43,49)
InChIKeyGMMNYKMYGSCERD-UHFFFAOYSA-N
MW687.65 g/mol
LogP4.75
Rot. Bonds3

About 2-methyl-8-[8-[1-oxo-8-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decan-3-yl]-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one

2-methyl-8-[8-[1-oxo-8-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decan-3-yl]-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 145391102) has the molecular formula C32H31F6N9O2 and a molecular weight of 687.65 g/mol. Its IUPAC name is 2-methyl-8-[8-[1-oxo-8-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decan-3-yl]-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-methyl-8-[8-[1-oxo-8-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decan-3-yl]-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID145391102
Molecular FormulaC32H31F6N9O2
Molecular Weight687.65 g/mol
Exact Mass687.25
IUPAC Name2-methyl-8-[8-[1-oxo-8-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decan-3-yl]-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCC1=NC2(CCN(c3cc(C(F)(F)F)c(C4CC5(CCN(c6cc(C(F)(F)F)cc7cncn67)CC5)C(=O)N4)c4cncn34)CC2)C(=O)N1
InChIInChI=1S/C32H31F6N9O2/c1-18-41-28(49)30(43-18)4-8-45(9-5-30)25-12-21(32(36,37)38)26(23-15-40-17-47(23)25)22-13-29(27(48)42-22)2-6-44(7-3-29)24-11-19(31(33,34)35)10-20-14-39-16-46(20)24/h10-12,14-17,22H,2-9,13H2,1H3,(H,42,48)(H,41,43,49)
InChIKeyGMMNYKMYGSCERD-UHFFFAOYSA-N
XLogP4.75
TPSA111.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500687.65
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-methyl-8-[8-[1-oxo-8-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decan-3-yl]-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one with MolForge

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Related Compounds

4-(8-amino-3-((6R,8aS)-3-oxooctahydroindolizin-6-yl) imidazo[1,5-a]pyrazin-1-yl)-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide
CID 77105257
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 77106038
IACS-8968 (S-enantiomer)
CID 134814487
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-(1,1-difluoroethyl)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 76901605
4-(8-amino-3-((6R,8aS)-2-methyl-3-oxooctahydroimidazo[1,5-a]pyridin-6-yl)imidazo[1,5-a]pyrazin-1-yl)-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide
CID 77105256
CID 131964646
CID 131964646
(3S)-3-(cyclobutylamino)-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]-3-methyl-1H-pyrrolo[2,3-b]pyridin-2-one
CID 131964662
PI3Kdelta-IN-9
CID 131964725
4-[3-[(1S,6R,8aR)-1-methyl-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 76853148
4-[3-[(6S,8aR)-2,2-dimethyl-3-oxo-1,5,6,7,8,8a-hexahydroindolizin-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 76902182
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-2-fluoro-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 76902372
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(2-fluoropropan-2-yl)-2-pyridinyl]benzamide
CID 76902563

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[8-[1-oxo-8-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decan-3-yl]-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-methyl-8-[8-[1-oxo-8-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decan-3-yl]-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 145391102) is 2-methyl-8-[8-[1-oxo-8-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decan-3-yl]-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-methyl-8-[8-[1-oxo-8-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decan-3-yl]-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-methyl-8-[8-[1-oxo-8-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decan-3-yl]-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CC1=NC2(CCN(c3cc(C(F)(F)F)c(C4CC5(CCN(c6cc(C(F)(F)F)cc7cncn67)CC5)C(=O)N4)c4cncn34)CC2)C(=O)N1.
What is the InChIKey of 2-methyl-8-[8-[1-oxo-8-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decan-3-yl]-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is GMMNYKMYGSCERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31F6N9O2/c1-18-41-28(49)30(43-18)4-8-45(9-5-30)25-12-21(32(36,37)38)26(23-15-40-17-47(23)25)22-13-29(27(48)42-22)2-6-44(7-3-29)24-11-19(31(33,34)35)10-20-14-39-16-46(20)24/h10-12,14-17,22H,2-9,13H2,1H3,(H,42,48)(H,41,43,49).
What are the key properties of 2-methyl-8-[8-[1-oxo-8-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decan-3-yl]-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-methyl-8-[8-[1-oxo-8-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decan-3-yl]-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 687.65 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[8-[1-oxo-8-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decan-3-yl]-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 145391102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).