(2R)-2-[2-[3-(2,4-difluorophenyl)-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-N,4-dimethylpentanamide

C23H30F2N4O2 — CID 58135570

IUPAC(2R)-2-[2-[3-(2,4-difluorophenyl)-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-N,4-dimethylpentanamide
SMILESCNC(=O)[C@@H](CC(=O)c1nc(-c2ccc(F)cc2F)n2c1CN(C)CCC2)CC(C)C
InChIInChI=1S/C23H30F2N4O2/c1-14(2)10-15(23(31)26-3)11-20(30)21-19-13-28(4)8-5-9-29(19)22(27-21)17-7-6-16(24)12-18(17)25/h6-7,12,14-15H,5,8-11,13H2,1-4H3,(H,26,31)/t15-/m1/s1
InChIKeyJKRWZXBTIBGEHG-OAHLLOKOSA-N
MW432.52 g/mol
LogP3.64
Rot. Bonds7

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

(2R)-2-[2-[3-(2,4-difluorophenyl)-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-N,4-dimethylpentanamide (PubChem CID 58135570) has the molecular formula C23H30F2N4O2 and a molecular weight of 432.52 g/mol. Its IUPAC name is (2R)-2-[2-[3-(2,4-difluorophenyl)-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name(2R)-2-[2-[3-(2,4-difluorophenyl)-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-N,4-dimethylpentanamide
PubChem CID58135570
Molecular FormulaC23H30F2N4O2
Molecular Weight432.52 g/mol
Exact Mass432.23
IUPAC Name(2R)-2-[2-[3-(2,4-difluorophenyl)-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-N,4-dimethylpentanamide
SMILESCNC(=O)[C@@H](CC(=O)c1nc(-c2ccc(F)cc2F)n2c1CN(C)CCC2)CC(C)C
InChIInChI=1S/C23H30F2N4O2/c1-14(2)10-15(23(31)26-3)11-20(30)21-19-13-28(4)8-5-9-29(19)22(27-21)17-7-6-16(24)12-18(17)25/h6-7,12,14-15H,5,8-11,13H2,1-4H3,(H,26,31)/t15-/m1/s1
InChIKeyJKRWZXBTIBGEHG-OAHLLOKOSA-N
XLogP3.64
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[2-[3-(2,4-difluorophenyl)-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-N,4-dimethylpentanamide 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 (2R)-2-[2-[3-(2,4-difluorophenyl)-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-N,4-dimethylpentanamide?
The IUPAC name of (2R)-2-[2-[3-(2,4-difluorophenyl)-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-N,4-dimethylpentanamide (CID 58135570) is (2R)-2-[2-[3-(2,4-difluorophenyl)-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-N,4-dimethylpentanamide.
What is the SMILES notation for (2R)-2-[2-[3-(2,4-difluorophenyl)-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-N,4-dimethylpentanamide?
The canonical SMILES for (2R)-2-[2-[3-(2,4-difluorophenyl)-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-N,4-dimethylpentanamide is CNC(=O)[C@@H](CC(=O)c1nc(-c2ccc(F)cc2F)n2c1CN(C)CCC2)CC(C)C.
What is the InChIKey of (2R)-2-[2-[3-(2,4-difluorophenyl)-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-N,4-dimethylpentanamide?
The InChIKey is JKRWZXBTIBGEHG-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H30F2N4O2/c1-14(2)10-15(23(31)26-3)11-20(30)21-19-13-28(4)8-5-9-29(19)22(27-21)17-7-6-16(24)12-18(17)25/h6-7,12,14-15H,5,8-11,13H2,1-4H3,(H,26,31)/t15-/m1/s1.
What are the key properties of (2R)-2-[2-[3-(2,4-difluorophenyl)-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-N,4-dimethylpentanamide?
(2R)-2-[2-[3-(2,4-difluorophenyl)-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-N,4-dimethylpentanamide has a molecular weight of 432.52 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[3-(2,4-difluorophenyl)-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-N,4-dimethylpentanamide is sourced from PubChem (CID 58135570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).