(2R)-2-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-N,4,4-trimethylpentanamide

C25H32F4N4O2 — CID 58135565

IUPAC(2R)-2-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-N,4,4-trimethylpentanamide
SMILESCNC(=O)[C@@H](CC(=O)c1nc(-c2ccc(C(F)(F)F)cc2F)n2c1CN(C)CCC2)CC(C)(C)C
InChIInChI=1S/C25H32F4N4O2/c1-24(2,3)13-15(23(35)30-4)11-20(34)21-19-14-32(5)9-6-10-33(19)22(31-21)17-8-7-16(12-18(17)26)25(27,28)29/h7-8,12,15H,6,9-11,13-14H2,1-5H3,(H,30,35)/t15-/m0/s1
InChIKeyVURRIAGXNFNRFN-HNNXBMFYSA-N
MW496.55 g/mol
LogP4.91
Rot. Bonds6

About (2R)-2-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-N,4,4-trimethylpentanamide

(2R)-2-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-N,4,4-trimethylpentanamide (PubChem CID 58135565) has the molecular formula C25H32F4N4O2 and a molecular weight of 496.55 g/mol. Its IUPAC name is (2R)-2-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-N,4,4-trimethylpentanamide.

Molecular Properties

Compound Name(2R)-2-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-N,4,4-trimethylpentanamide
PubChem CID58135565
Molecular FormulaC25H32F4N4O2
Molecular Weight496.55 g/mol
Exact Mass496.25
IUPAC Name(2R)-2-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-N,4,4-trimethylpentanamide
SMILESCNC(=O)[C@@H](CC(=O)c1nc(-c2ccc(C(F)(F)F)cc2F)n2c1CN(C)CCC2)CC(C)(C)C
InChIInChI=1S/C25H32F4N4O2/c1-24(2,3)13-15(23(35)30-4)11-20(34)21-19-14-32(5)9-6-10-33(19)22(31-21)17-8-7-16(12-18(17)26)25(27,28)29/h7-8,12,15H,6,9-11,13-14H2,1-5H3,(H,30,35)/t15-/m0/s1
InChIKeyVURRIAGXNFNRFN-HNNXBMFYSA-N
XLogP4.91
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.55
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-N,4,4-trimethylpentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-N,4,4-trimethylpentanamide?
The IUPAC name of (2R)-2-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-N,4,4-trimethylpentanamide (CID 58135565) is (2R)-2-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-N,4,4-trimethylpentanamide.
What is the SMILES notation for (2R)-2-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-N,4,4-trimethylpentanamide?
The canonical SMILES for (2R)-2-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-N,4,4-trimethylpentanamide is CNC(=O)[C@@H](CC(=O)c1nc(-c2ccc(C(F)(F)F)cc2F)n2c1CN(C)CCC2)CC(C)(C)C.
What is the InChIKey of (2R)-2-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-N,4,4-trimethylpentanamide?
The InChIKey is VURRIAGXNFNRFN-HNNXBMFYSA-N. The full InChI is InChI=1S/C25H32F4N4O2/c1-24(2,3)13-15(23(35)30-4)11-20(34)21-19-14-32(5)9-6-10-33(19)22(31-21)17-8-7-16(12-18(17)26)25(27,28)29/h7-8,12,15H,6,9-11,13-14H2,1-5H3,(H,30,35)/t15-/m0/s1.
What are the key properties of (2R)-2-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-N,4,4-trimethylpentanamide?
(2R)-2-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-N,4,4-trimethylpentanamide has a molecular weight of 496.55 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[3-[2-fluoro-4-(trifluoromethyl)phenyl]-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-N,4,4-trimethylpentanamide is sourced from PubChem (CID 58135565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).