2-[3-[(S)-(3-methoxyazetidin-1-yl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

C29H38F3N7O2 — CID 166078786

IUPAC2-[3-[(S)-(3-methoxyazetidin-1-yl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
SMILESCOC1CN([C@@H](c2cccc(-n3cc4c(C(F)(F)F)cc(CN5CCC[C@H](C)C5)cn4c3=O)c2)C2NNCN2C)C1
InChIInChI=1S/C29H38F3N7O2/c1-19-6-5-9-36(12-19)13-20-10-24(29(30,31)32)25-17-38(28(40)39(25)14-20)22-8-4-7-21(11-22)26(27-34-33-18-35(27)2)37-15-23(16-37)41-3/h4,7-8,10-11,14,17,19,23,26-27,33-34H,5-6,9,12-13,15-16,18H2,1-3H3/t19-,26-,27?/m0/s1
InChIKeyALCDIOSVACYWIF-RZUYQHNOSA-N
MW573.66 g/mol
LogP3.04
Rot. Bonds7

About 2-[3-[(S)-(3-methoxyazetidin-1-yl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

2-[3-[(S)-(3-methoxyazetidin-1-yl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 166078786) has the molecular formula C29H38F3N7O2 and a molecular weight of 573.66 g/mol. Its IUPAC name is 2-[3-[(S)-(3-methoxyazetidin-1-yl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

Molecular Properties

Compound Name2-[3-[(S)-(3-methoxyazetidin-1-yl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
PubChem CID166078786
Molecular FormulaC29H38F3N7O2
Molecular Weight573.66 g/mol
Exact Mass573.30
IUPAC Name2-[3-[(S)-(3-methoxyazetidin-1-yl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
SMILESCOC1CN([C@@H](c2cccc(-n3cc4c(C(F)(F)F)cc(CN5CCC[C@H](C)C5)cn4c3=O)c2)C2NNCN2C)C1
InChIInChI=1S/C29H38F3N7O2/c1-19-6-5-9-36(12-19)13-20-10-24(29(30,31)32)25-17-38(28(40)39(25)14-20)22-8-4-7-21(11-22)26(27-34-33-18-35(27)2)37-15-23(16-37)41-3/h4,7-8,10-11,14,17,19,23,26-27,33-34H,5-6,9,12-13,15-16,18H2,1-3H3/t19-,26-,27?/m0/s1
InChIKeyALCDIOSVACYWIF-RZUYQHNOSA-N
XLogP3.04
TPSA69.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.66
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[3-[(S)-(3-methoxyazetidin-1-yl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one with MolForge

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Related Compounds

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-[(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-[(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-[[(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
CID 178155764
CID 178155764
2-[3-[(R)-cyclobutyl-[1-(2-methoxyethyl)-4-methyl-3H-pyrazol-1-ium-3-yl]methyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 178155893
2-[3-[cyclobutyl-(4-methyl-1H-pyrazol-5-yl)methyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166080031
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
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
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-[(R)-cyclobutyl-[4-(methoxymethyl)-1,3-thiazol-2-yl]methyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166079177
2-[3-[cyclobutyl-(5-methyl-1,3-thiazol-4-yl)methyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 171753041

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(S)-(3-methoxyazetidin-1-yl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The IUPAC name of 2-[3-[(S)-(3-methoxyazetidin-1-yl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 166078786) is 2-[3-[(S)-(3-methoxyazetidin-1-yl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.
What is the SMILES notation for 2-[3-[(S)-(3-methoxyazetidin-1-yl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The canonical SMILES for 2-[3-[(S)-(3-methoxyazetidin-1-yl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is COC1CN([C@@H](c2cccc(-n3cc4c(C(F)(F)F)cc(CN5CCC[C@H](C)C5)cn4c3=O)c2)C2NNCN2C)C1.
What is the InChIKey of 2-[3-[(S)-(3-methoxyazetidin-1-yl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The InChIKey is ALCDIOSVACYWIF-RZUYQHNOSA-N. The full InChI is InChI=1S/C29H38F3N7O2/c1-19-6-5-9-36(12-19)13-20-10-24(29(30,31)32)25-17-38(28(40)39(25)14-20)22-8-4-7-21(11-22)26(27-34-33-18-35(27)2)37-15-23(16-37)41-3/h4,7-8,10-11,14,17,19,23,26-27,33-34H,5-6,9,12-13,15-16,18H2,1-3H3/t19-,26-,27?/m0/s1.
What are the key properties of 2-[3-[(S)-(3-methoxyazetidin-1-yl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
2-[3-[(S)-(3-methoxyazetidin-1-yl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 573.66 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(S)-(3-methoxyazetidin-1-yl)-(4-methyl-1,2,4-triazolidin-3-yl)methyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 166078786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).