2-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one

C30H30F6N6O — CID 166078819

IUPAC2-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one
SMILESCn1cnnc1C1(c2cccc(-n3cc4c(C(F)(F)F)cc(CN5CCCC(C(F)(F)F)C5)cn4c3=O)c2)CC2(CC2)C1
InChIInChI=1S/C30H30F6N6O/c1-39-18-37-38-25(39)28(16-27(17-28)7-8-27)20-4-2-6-22(11-20)41-15-24-23(30(34,35)36)10-19(13-42(24)26(41)43)12-40-9-3-5-21(14-40)29(31,32)33/h2,4,6,10-11,13,15,18,21H,3,5,7-9,12,14,16-17H2,1H3
InChIKeyWHWVXSUONXROHJ-UHFFFAOYSA-N
MW604.60 g/mol
LogP5.87
Rot. Bonds5

About 2-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one

2-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one (PubChem CID 166078819) has the molecular formula C30H30F6N6O and a molecular weight of 604.60 g/mol. Its IUPAC name is 2-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one.

Molecular Properties

Compound Name2-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one
PubChem CID166078819
Molecular FormulaC30H30F6N6O
Molecular Weight604.60 g/mol
Exact Mass604.24
IUPAC Name2-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one
SMILESCn1cnnc1C1(c2cccc(-n3cc4c(C(F)(F)F)cc(CN5CCCC(C(F)(F)F)C5)cn4c3=O)c2)CC2(CC2)C1
InChIInChI=1S/C30H30F6N6O/c1-39-18-37-38-25(39)28(16-27(17-28)7-8-27)20-4-2-6-22(11-20)41-15-24-23(30(34,35)36)10-19(13-42(24)26(41)43)12-40-9-3-5-21(14-40)29(31,32)33/h2,4,6,10-11,13,15,18,21H,3,5,7-9,12,14,16-17H2,1H3
InChIKeyWHWVXSUONXROHJ-UHFFFAOYSA-N
XLogP5.87
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.60
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one with MolForge

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Related Compounds

2-[3-[5-(1,2-dimethyltriazet-4-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)-6-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one
CID 170641682
6-[(4-fluoropiperidin-1-yl)methyl]-2-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166079866
6-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166078839
6-isocyano-2-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 171752846
2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 171902329
6-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166079037
6-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166079998
2-[3-[(R)-(1-hydroxycyclobutyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166079125
6-[[(1-methylcyclobutyl)amino]methyl]-2-[3-[1-(4-methyl-1,2,4-triazol-3-yl)-3-(trifluoromethoxy)cyclobutyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 171510468
2-[3-[(2R)-2,3-difluoro-3-(4-methyl-1,2,4-triazol-3-yl)butan-2-yl]phenyl]-6-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 178155724
2-[3-[(R)-azetidin-1-yl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166079290
6-[[[1-(methoxymethyl)cyclopropyl]amino]methyl]-2-[3-[3-methoxy-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 171510538

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one?
The IUPAC name of 2-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one (CID 166078819) is 2-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one.
What is the SMILES notation for 2-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one?
The canonical SMILES for 2-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one is Cn1cnnc1C1(c2cccc(-n3cc4c(C(F)(F)F)cc(CN5CCCC(C(F)(F)F)C5)cn4c3=O)c2)CC2(CC2)C1.
What is the InChIKey of 2-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one?
The InChIKey is WHWVXSUONXROHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F6N6O/c1-39-18-37-38-25(39)28(16-27(17-28)7-8-27)20-4-2-6-22(11-20)41-15-24-23(30(34,35)36)10-19(13-42(24)26(41)43)12-40-9-3-5-21(14-40)29(31,32)33/h2,4,6,10-11,13,15,18,21H,3,5,7-9,12,14,16-17H2,1H3.
What are the key properties of 2-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one?
2-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one has a molecular weight of 604.60 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 166078819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).