2-amino-3-[[3-[5-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-5,5-diphenylimidazol-4-one

C30H26F3N7O2 — CID 135155719

IUPAC2-amino-3-[[3-[5-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-5,5-diphenylimidazol-4-one
SMILESCC1CN(C(=O)c2cccc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)Cc2nnc(C(F)(F)F)n21
InChIInChI=1S/C30H26F3N7O2/c1-19-16-38(18-24-36-37-26(40(19)24)30(31,32)33)25(41)21-10-8-9-20(15-21)17-39-27(42)29(35-28(39)34,22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-15,19H,16-18H2,1H3,(H2,34,35)
InChIKeyUYBBQARKPWEAPK-UHFFFAOYSA-N
MW573.58 g/mol
LogP4.11
Rot. Bonds5

About 2-amino-3-[[3-[5-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-5,5-diphenylimidazol-4-one

2-amino-3-[[3-[5-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-5,5-diphenylimidazol-4-one (PubChem CID 135155719) has the molecular formula C30H26F3N7O2 and a molecular weight of 573.58 g/mol. Its IUPAC name is 2-amino-3-[[3-[5-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-5,5-diphenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-3-[[3-[5-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-5,5-diphenylimidazol-4-one
PubChem CID135155719
Molecular FormulaC30H26F3N7O2
Molecular Weight573.58 g/mol
Exact Mass573.21
IUPAC Name2-amino-3-[[3-[5-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-5,5-diphenylimidazol-4-one
SMILESCC1CN(C(=O)c2cccc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)Cc2nnc(C(F)(F)F)n21
InChIInChI=1S/C30H26F3N7O2/c1-19-16-38(18-24-36-37-26(40(19)24)30(31,32)33)25(41)21-10-8-9-20(15-21)17-39-27(42)29(35-28(39)34,22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-15,19H,16-18H2,1H3,(H2,34,35)
InChIKeyUYBBQARKPWEAPK-UHFFFAOYSA-N
XLogP4.11
TPSA109.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.58
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-amino-3-[[3-[5-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-5,5-diphenylimidazol-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[3-[5-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-5,5-diphenylimidazol-4-one?
The IUPAC name of 2-amino-3-[[3-[5-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-5,5-diphenylimidazol-4-one (CID 135155719) is 2-amino-3-[[3-[5-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-5,5-diphenylimidazol-4-one.
What is the SMILES notation for 2-amino-3-[[3-[5-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-5,5-diphenylimidazol-4-one?
The canonical SMILES for 2-amino-3-[[3-[5-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-5,5-diphenylimidazol-4-one is CC1CN(C(=O)c2cccc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)Cc2nnc(C(F)(F)F)n21.
What is the InChIKey of 2-amino-3-[[3-[5-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-5,5-diphenylimidazol-4-one?
The InChIKey is UYBBQARKPWEAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F3N7O2/c1-19-16-38(18-24-36-37-26(40(19)24)30(31,32)33)25(41)21-10-8-9-20(15-21)17-39-27(42)29(35-28(39)34,22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-15,19H,16-18H2,1H3,(H2,34,35).
What are the key properties of 2-amino-3-[[3-[5-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-5,5-diphenylimidazol-4-one?
2-amino-3-[[3-[5-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-5,5-diphenylimidazol-4-one has a molecular weight of 573.58 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[3-[5-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-5,5-diphenylimidazol-4-one is sourced from PubChem (CID 135155719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).