6-[[4-(2-aminoethoxy)piperidin-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

C29H34F3N7O3 — CID 166078849

IUPAC6-[[4-(2-aminoethoxy)piperidin-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
SMILESCn1cnnc1CC1(c2cccc(-n3cc4c(C(F)(F)F)cc(CN5CCC(OCCN)CC5)cn4c3=O)c2)COC1
InChIInChI=1S/C29H34F3N7O3/c1-36-19-34-35-26(36)13-28(17-41-18-28)21-3-2-4-22(12-21)38-16-25-24(29(30,31)32)11-20(15-39(25)27(38)40)14-37-8-5-23(6-9-37)42-10-7-33/h2-4,11-12,15-16,19,23H,5-10,13-14,17-18,33H2,1H3
InChIKeyHODZECJXHUKCOT-UHFFFAOYSA-N
MW585.63 g/mol
LogP2.69
Rot. Bonds9

About 6-[[4-(2-aminoethoxy)piperidin-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

6-[[4-(2-aminoethoxy)piperidin-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 (PubChem CID 166078849) has the molecular formula C29H34F3N7O3 and a molecular weight of 585.63 g/mol. Its IUPAC name is 6-[[4-(2-aminoethoxy)piperidin-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.

Molecular Properties

Compound Name6-[[4-(2-aminoethoxy)piperidin-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
PubChem CID166078849
Molecular FormulaC29H34F3N7O3
Molecular Weight585.63 g/mol
Exact Mass585.27
IUPAC Name6-[[4-(2-aminoethoxy)piperidin-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
SMILESCn1cnnc1CC1(c2cccc(-n3cc4c(C(F)(F)F)cc(CN5CCC(OCCN)CC5)cn4c3=O)c2)COC1
InChIInChI=1S/C29H34F3N7O3/c1-36-19-34-35-26(36)13-28(17-41-18-28)21-3-2-4-22(12-21)38-16-25-24(29(30,31)32)11-20(15-39(25)27(38)40)14-37-8-5-23(6-9-37)42-10-7-33/h2-4,11-12,15-16,19,23H,5-10,13-14,17-18,33H2,1H3
InChIKeyHODZECJXHUKCOT-UHFFFAOYSA-N
XLogP2.69
TPSA104.84 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.63
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-[[4-(2-aminoethoxy)piperidin-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 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
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
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
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
6-[(1R)-1-(3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-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 166078785
6-[[(2R)-2-methylmorpholin-4-yl]methyl]-2-[3-[(R)-(4-methyl-1,2,4-triazol-3-yl)-(oxetan-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166078790
2-[3-[3-[(4-Methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridine-6-carbaldehyde
CID 166078792
6-[[(3S)-3-fluoropiperidin-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 166078796
6-[[(3R)-3-methoxypiperidin-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 166078802
2-[3-[3-(4-Methyl-1,2,4-triazol-3-yl)oxetan-3-yl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridine-6-carbaldehyde
CID 166078806

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2-aminoethoxy)piperidin-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?
The IUPAC name of 6-[[4-(2-aminoethoxy)piperidin-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 166078849) is 6-[[4-(2-aminoethoxy)piperidin-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.
What is the SMILES notation for 6-[[4-(2-aminoethoxy)piperidin-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?
The canonical SMILES for 6-[[4-(2-aminoethoxy)piperidin-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 is Cn1cnnc1CC1(c2cccc(-n3cc4c(C(F)(F)F)cc(CN5CCC(OCCN)CC5)cn4c3=O)c2)COC1.
What is the InChIKey of 6-[[4-(2-aminoethoxy)piperidin-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?
The InChIKey is HODZECJXHUKCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F3N7O3/c1-36-19-34-35-26(36)13-28(17-41-18-28)21-3-2-4-22(12-21)38-16-25-24(29(30,31)32)11-20(15-39(25)27(38)40)14-37-8-5-23(6-9-37)42-10-7-33/h2-4,11-12,15-16,19,23H,5-10,13-14,17-18,33H2,1H3.
What are the key properties of 6-[[4-(2-aminoethoxy)piperidin-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?
6-[[4-(2-aminoethoxy)piperidin-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 has a molecular weight of 585.63 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2-aminoethoxy)piperidin-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 is sourced from PubChem (CID 166078849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).