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

C25H27F3N6O — CID 166079037

IUPAC6-[[(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
SMILESC[C@H]1CCCN(Cc2cc(C(F)(F)F)c3cn(-c4cccc(Cc5nncn5C)c4)c(=O)n3c2)C1
InChIInChI=1S/C25H27F3N6O/c1-17-5-4-8-32(12-17)13-19-10-21(25(26,27)28)22-15-33(24(35)34(22)14-19)20-7-3-6-18(9-20)11-23-30-29-16-31(23)2/h3,6-7,9-10,14-17H,4-5,8,11-13H2,1-2H3/t17-/m0/s1
InChIKeyVNMRRJDGNFRMSW-KRWDZBQOSA-N
MW484.53 g/mol
LogP4.06
Rot. Bonds5

About 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

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 (PubChem CID 166079037) has the molecular formula C25H27F3N6O and a molecular weight of 484.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[[(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
PubChem CID166079037
Molecular FormulaC25H27F3N6O
Molecular Weight484.53 g/mol
Exact Mass484.22
IUPAC Name6-[[(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
SMILESC[C@H]1CCCN(Cc2cc(C(F)(F)F)c3cn(-c4cccc(Cc5nncn5C)c4)c(=O)n3c2)C1
InChIInChI=1S/C25H27F3N6O/c1-17-5-4-8-32(12-17)13-19-10-21(25(26,27)28)22-15-33(24(35)34(22)14-19)20-7-3-6-18(9-20)11-23-30-29-16-31(23)2/h3,6-7,9-10,14-17H,4-5,8,11-13H2,1-2H3/t17-/m0/s1
InChIKeyVNMRRJDGNFRMSW-KRWDZBQOSA-N
XLogP4.06
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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)-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)-(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
2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)but-3-enyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 171752798
2-[3-[(1S)-3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)but-3-enyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166079531
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-[(3-methoxycyclobutyl)-(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 166078817
2-[3-[(S)-cyclobutyl-(4-propan-2-yl-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 166080073
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-[(S)-azetidin-3-yl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-8-[fluoro(diiodo)methyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one
CID 178155700
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@H]1CCCN(Cc2cc(C(F)(F)F)c3cn(-c4cccc(Cc5nncn5C)c4)c(=O)n3c2)C1.
What is the InChIKey of 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?
The InChIKey is VNMRRJDGNFRMSW-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H27F3N6O/c1-17-5-4-8-32(12-17)13-19-10-21(25(26,27)28)22-15-33(24(35)34(22)14-19)20-7-3-6-18(9-20)11-23-30-29-16-31(23)2/h3,6-7,9-10,14-17H,4-5,8,11-13H2,1-2H3/t17-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 484.53 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166079037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).