6-(2,5-dihydro-1H-pyrrol-3-yl)-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

C25H23F3N6O2 — CID 166079129

IUPAC6-(2,5-dihydro-1H-pyrrol-3-yl)-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
SMILESCn1cnnc1CC1(c2cccc(-n3cc4c(C(F)(F)F)cc(C5=CCNC5)cn4c3=O)c2)COC1
InChIInChI=1S/C25H23F3N6O2/c1-32-15-30-31-22(32)9-24(13-36-14-24)18-3-2-4-19(8-18)33-12-21-20(25(26,27)28)7-17(11-34(21)23(33)35)16-5-6-29-10-16/h2-5,7-8,11-12,15,29H,6,9-10,13-14H2,1H3
InChIKeyHLJSUKYWPYDAIC-UHFFFAOYSA-N
MW496.49 g/mol
LogP2.73
Rot. Bonds5

About 6-(2,5-dihydro-1H-pyrrol-3-yl)-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

6-(2,5-dihydro-1H-pyrrol-3-yl)-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 (PubChem CID 166079129) has the molecular formula C25H23F3N6O2 and a molecular weight of 496.49 g/mol. Its IUPAC name is 6-(2,5-dihydro-1H-pyrrol-3-yl)-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.

Molecular Properties

Compound Name6-(2,5-dihydro-1H-pyrrol-3-yl)-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
PubChem CID166079129
Molecular FormulaC25H23F3N6O2
Molecular Weight496.49 g/mol
Exact Mass496.18
IUPAC Name6-(2,5-dihydro-1H-pyrrol-3-yl)-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
SMILESCn1cnnc1CC1(c2cccc(-n3cc4c(C(F)(F)F)cc(C5=CCNC5)cn4c3=O)c2)COC1
InChIInChI=1S/C25H23F3N6O2/c1-32-15-30-31-22(32)9-24(13-36-14-24)18-3-2-4-19(8-18)33-12-21-20(25(26,27)28)7-17(11-34(21)23(33)35)16-5-6-29-10-16/h2-5,7-8,11-12,15,29H,6,9-10,13-14H2,1H3
InChIKeyHLJSUKYWPYDAIC-UHFFFAOYSA-N
XLogP2.73
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.49
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(2,5-dihydro-1H-pyrrol-3-yl)-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 with MolForge

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Related Compounds

Cbl-b-IN-12
CID 166079710
6-[(4-Fluoro-4-methylpiperidin-1-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)-1,5-dihydroimidazo[1,5-a]pyridin-3-one
CID 177642976
N-(3-(3-((4-methyl-4H-1,2,4-triazol-3-yl)methyl)oxetan-3-yl)phenyl)-4-(trifluoromethyl)-1H-imidazole-2-carboxamide
CID 164869410
3-[3-[Fluoro(4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3-oxetanyl]benzenamine
CID 139349805
3-[3-[(R)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]aniline
CID 139349890
(S)-3-(3-(Fluoro(4-methyl-4H-1,2,4-triazol-3-yl)methyl)oxetan-3-yl)aniline
CID 139350052
2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-7-(trifluoromethyl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
CID 155596974
methyl 1-[[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylate
CID 155597076
2-[3-[(R)-azetidin-3-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 166078751
N-[[3-(difluoromethyl)-2-pyridinyl]methyl]-3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]aniline
CID 166078756
Tert-butyl 3-[2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]pyrrolidine-1-carboxylate
CID 166078763
2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166078784

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dihydro-1H-pyrrol-3-yl)-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?
The IUPAC name of 6-(2,5-dihydro-1H-pyrrol-3-yl)-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 166079129) is 6-(2,5-dihydro-1H-pyrrol-3-yl)-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.
What is the SMILES notation for 6-(2,5-dihydro-1H-pyrrol-3-yl)-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?
The canonical SMILES for 6-(2,5-dihydro-1H-pyrrol-3-yl)-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 is Cn1cnnc1CC1(c2cccc(-n3cc4c(C(F)(F)F)cc(C5=CCNC5)cn4c3=O)c2)COC1.
What is the InChIKey of 6-(2,5-dihydro-1H-pyrrol-3-yl)-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?
The InChIKey is HLJSUKYWPYDAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6O2/c1-32-15-30-31-22(32)9-24(13-36-14-24)18-3-2-4-19(8-18)33-12-21-20(25(26,27)28)7-17(11-34(21)23(33)35)16-5-6-29-10-16/h2-5,7-8,11-12,15,29H,6,9-10,13-14H2,1H3.
What are the key properties of 6-(2,5-dihydro-1H-pyrrol-3-yl)-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?
6-(2,5-dihydro-1H-pyrrol-3-yl)-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 has a molecular weight of 496.49 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dihydro-1H-pyrrol-3-yl)-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 is sourced from PubChem (CID 166079129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).