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

C29H30F4N6O — CID 166079866

IUPAC6-[(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
SMILESCn1cnnc1C1(c2cccc(-n3cc4c(C(F)(F)F)cc(CN5CCC(F)CC5)cn4c3=O)c2)CC2(CC2)C1
InChIInChI=1S/C29H30F4N6O/c1-36-18-34-35-25(36)28(16-27(17-28)7-8-27)20-3-2-4-22(12-20)38-15-24-23(29(31,32)33)11-19(14-39(24)26(38)40)13-37-9-5-21(30)6-10-37/h2-4,11-12,14-15,18,21H,5-10,13,16-17H2,1H3
InChIKeyVSLBSSXQYUOHMK-UHFFFAOYSA-N
MW554.59 g/mol
LogP5.03
Rot. Bonds5

About 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

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 (PubChem CID 166079866) has the molecular formula C29H30F4N6O and a molecular weight of 554.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[(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
PubChem CID166079866
Molecular FormulaC29H30F4N6O
Molecular Weight554.59 g/mol
Exact Mass554.24
IUPAC Name6-[(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
SMILESCn1cnnc1C1(c2cccc(-n3cc4c(C(F)(F)F)cc(CN5CCC(F)CC5)cn4c3=O)c2)CC2(CC2)C1
InChIInChI=1S/C29H30F4N6O/c1-36-18-34-35-25(36)28(16-27(17-28)7-8-27)20-3-2-4-22(12-20)38-15-24-23(29(31,32)33)11-19(14-39(24)26(38)40)13-37-9-5-21(30)6-10-37/h2-4,11-12,14-15,18,21H,5-10,13,16-17H2,1H3
InChIKeyVSLBSSXQYUOHMK-UHFFFAOYSA-N
XLogP5.03
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.59
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-[[(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-[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
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
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
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-[3,3-difluoro-1-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-[(4-methylpiperazin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 171510465
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
8-(1,1-difluoroethyl)-6-[(4-methoxypiperidin-1-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]imidazo[1,5-a]pyridin-3-one
CID 166079282
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-[(2,2-dimethylmorpholin-4-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 166080079

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1cnnc1C1(c2cccc(-n3cc4c(C(F)(F)F)cc(CN5CCC(F)CC5)cn4c3=O)c2)CC2(CC2)C1.
What is the InChIKey of 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?
The InChIKey is VSLBSSXQYUOHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F4N6O/c1-36-18-34-35-25(36)28(16-27(17-28)7-8-27)20-3-2-4-22(12-20)38-15-24-23(29(31,32)33)11-19(14-39(24)26(38)40)13-37-9-5-21(30)6-10-37/h2-4,11-12,14-15,18,21H,5-10,13,16-17H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 554.59 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166079866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).