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

C30H32F6N6O — CID 170641682

IUPAC2-[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
SMILESCn1nc(C2(c3cccc(-n4cc5c(C(F)(F)F)cc(CN6CCC[C@H](C(F)(F)F)C6)cn5c4=O)c3)CC3(CC3)C2)n1C
InChIInChI=1S/C30H32F6N6O/c1-38-25(37-39(38)2)28(17-27(18-28)8-9-27)20-5-3-7-22(12-20)41-16-24-23(30(34,35)36)11-19(14-42(24)26(41)43)13-40-10-4-6-21(15-40)29(31,32)33/h3,5,7,11-12,14,16,21H,4,6,8-10,13,15,17-18H2,1-2H3/t21-/m0/s1
InChIKeyLCSIDDNQVWHISI-NRFANRHFSA-N
MW606.62 g/mol
LogP5.82
Rot. Bonds5

About 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

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 (PubChem CID 170641682) has the molecular formula C30H32F6N6O and a molecular weight of 606.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID170641682
Molecular FormulaC30H32F6N6O
Molecular Weight606.62 g/mol
Exact Mass606.25
IUPAC Name2-[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
SMILESCn1nc(C2(c3cccc(-n4cc5c(C(F)(F)F)cc(CN6CCC[C@H](C(F)(F)F)C6)cn5c4=O)c3)CC3(CC3)C2)n1C
InChIInChI=1S/C30H32F6N6O/c1-38-25(37-39(38)2)28(17-27(18-28)8-9-27)20-5-3-7-22(12-20)41-16-24-23(30(34,35)36)11-19(14-42(24)26(41)43)13-40-10-4-6-21(15-40)29(31,32)33/h3,5,7,11-12,14,16,21H,4,6,8-10,13,15,17-18H2,1-2H3/t21-/m0/s1
InChIKeyLCSIDDNQVWHISI-NRFANRHFSA-N
XLogP5.82
TPSA52.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.62
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 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

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
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-[[(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
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-[(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
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
2-[3-[(R)-(3,3-difluorocyclobutyl)-(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 166078980
2-[3-[(1S)-3-methoxy-1-(4-methyl-1,2,4-triazol-3-yl)propyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166079162
6-[[(3R)-3-isocyanopyrrolidin-1-yl]methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 171753644

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1nc(C2(c3cccc(-n4cc5c(C(F)(F)F)cc(CN6CCC[C@H](C(F)(F)F)C6)cn5c4=O)c3)CC3(CC3)C2)n1C.
What is the InChIKey of 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?
The InChIKey is LCSIDDNQVWHISI-NRFANRHFSA-N. The full InChI is InChI=1S/C30H32F6N6O/c1-38-25(37-39(38)2)28(17-27(18-28)8-9-27)20-5-3-7-22(12-20)41-16-24-23(30(34,35)36)11-19(14-42(24)26(41)43)13-40-10-4-6-21(15-40)29(31,32)33/h3,5,7,11-12,14,16,21H,4,6,8-10,13,15,17-18H2,1-2H3/t21-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 606.62 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170641682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).