6-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-2-[3-[3-[(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

C27H39F3N6O3 — CID 171753397

IUPAC6-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-2-[3-[3-[(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
SMILESCN1CNNC1CC1(C2CCCC(n3cc4c(C(F)(F)F)cc(CN5CCC[C@H](O)C5)cn4c3=O)C2)COC1
InChIInChI=1S/C27H39F3N6O3/c1-33-17-31-32-24(33)10-26(15-39-16-26)19-4-2-5-20(9-19)35-14-23-22(27(28,29)30)8-18(12-36(23)25(35)38)11-34-7-3-6-21(37)13-34/h8,12,14,19-21,24,31-32,37H,2-7,9-11,13,15-17H2,1H3/t19?,20?,21-,24?/m0/s1
InChIKeyGSDFTUWILSSOBU-ATCWGPEFSA-N
MW552.64 g/mol
LogP2.54
Rot. Bonds6

About 6-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-2-[3-[3-[(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

6-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-2-[3-[3-[(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 171753397) has the molecular formula C27H39F3N6O3 and a molecular weight of 552.64 g/mol. Its IUPAC name is 6-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-2-[3-[3-[(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

Molecular Properties

Compound Name6-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-2-[3-[3-[(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
PubChem CID171753397
Molecular FormulaC27H39F3N6O3
Molecular Weight552.64 g/mol
Exact Mass552.30
IUPAC Name6-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-2-[3-[3-[(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
SMILESCN1CNNC1CC1(C2CCCC(n3cc4c(C(F)(F)F)cc(CN5CCC[C@H](O)C5)cn4c3=O)C2)COC1
InChIInChI=1S/C27H39F3N6O3/c1-33-17-31-32-24(33)10-26(15-39-16-26)19-4-2-5-20(9-19)35-14-23-22(27(28,29)30)8-18(12-36(23)25(35)38)11-34-7-3-6-21(37)13-34/h8,12,14,19-21,24,31-32,37H,2-7,9-11,13,15-17H2,1H3/t19?,20?,21-,24?/m0/s1
InChIKeyGSDFTUWILSSOBU-ATCWGPEFSA-N
XLogP2.54
TPSA86.41 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.64
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-2-[3-[3-[(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-8-(trifluoromethyl)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

Frequently Asked Questions

What is the IUPAC name of 6-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-2-[3-[3-[(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The IUPAC name of 6-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-2-[3-[3-[(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 171753397) is 6-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-2-[3-[3-[(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.
What is the SMILES notation for 6-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-2-[3-[3-[(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The canonical SMILES for 6-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-2-[3-[3-[(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is CN1CNNC1CC1(C2CCCC(n3cc4c(C(F)(F)F)cc(CN5CCC[C@H](O)C5)cn4c3=O)C2)COC1.
What is the InChIKey of 6-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-2-[3-[3-[(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The InChIKey is GSDFTUWILSSOBU-ATCWGPEFSA-N. The full InChI is InChI=1S/C27H39F3N6O3/c1-33-17-31-32-24(33)10-26(15-39-16-26)19-4-2-5-20(9-19)35-14-23-22(27(28,29)30)8-18(12-36(23)25(35)38)11-34-7-3-6-21(37)13-34/h8,12,14,19-21,24,31-32,37H,2-7,9-11,13,15-17H2,1H3/t19?,20?,21-,24?/m0/s1.
What are the key properties of 6-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-2-[3-[3-[(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
6-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-2-[3-[3-[(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 552.64 g/mol, XLogP of 2.54, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-2-[3-[3-[(4-methyl-1,2,4-triazolidin-3-yl)methyl]oxetan-3-yl]cyclohexyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 171753397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).