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

C23H30F2N4O2 — CID 58135578

IUPAC(2R)-2-[2-[3-(2,5-difluorophenyl)-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-4,4-dimethylpentanamide
SMILESCN1CCCn2c(-c3cc(F)ccc3F)nc(C(=O)C[C@@H](CC(C)(C)C)C(N)=O)c2C1
InChIInChI=1S/C23H30F2N4O2/c1-23(2,3)12-14(21(26)31)10-19(30)20-18-13-28(4)8-5-9-29(18)22(27-20)16-11-15(24)6-7-17(16)25/h6-7,11,14H,5,8-10,12-13H2,1-4H3,(H2,26,31)/t14-/m0/s1
InChIKeyXIXTZVPZDYNAAI-AWEZNQCLSA-N
MW432.52 g/mol
LogP3.77
Rot. Bonds6

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

(2R)-2-[2-[3-(2,5-difluorophenyl)-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-4,4-dimethylpentanamide (PubChem CID 58135578) has the molecular formula C23H30F2N4O2 and a molecular weight of 432.52 g/mol. Its IUPAC name is (2R)-2-[2-[3-(2,5-difluorophenyl)-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-4,4-dimethylpentanamide.

Molecular Properties

Compound Name(2R)-2-[2-[3-(2,5-difluorophenyl)-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-4,4-dimethylpentanamide
PubChem CID58135578
Molecular FormulaC23H30F2N4O2
Molecular Weight432.52 g/mol
Exact Mass432.23
IUPAC Name(2R)-2-[2-[3-(2,5-difluorophenyl)-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-4,4-dimethylpentanamide
SMILESCN1CCCn2c(-c3cc(F)ccc3F)nc(C(=O)C[C@@H](CC(C)(C)C)C(N)=O)c2C1
InChIInChI=1S/C23H30F2N4O2/c1-23(2,3)12-14(21(26)31)10-19(30)20-18-13-28(4)8-5-9-29(18)22(27-20)16-11-15(24)6-7-17(16)25/h6-7,11,14H,5,8-10,12-13H2,1-4H3,(H2,26,31)/t14-/m0/s1
InChIKeyXIXTZVPZDYNAAI-AWEZNQCLSA-N
XLogP3.77
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[3-(2,5-difluorophenyl)-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-4,4-dimethylpentanamide?
The IUPAC name of (2R)-2-[2-[3-(2,5-difluorophenyl)-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-4,4-dimethylpentanamide (CID 58135578) is (2R)-2-[2-[3-(2,5-difluorophenyl)-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-4,4-dimethylpentanamide.
What is the SMILES notation for (2R)-2-[2-[3-(2,5-difluorophenyl)-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-4,4-dimethylpentanamide?
The canonical SMILES for (2R)-2-[2-[3-(2,5-difluorophenyl)-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-4,4-dimethylpentanamide is CN1CCCn2c(-c3cc(F)ccc3F)nc(C(=O)C[C@@H](CC(C)(C)C)C(N)=O)c2C1.
What is the InChIKey of (2R)-2-[2-[3-(2,5-difluorophenyl)-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-4,4-dimethylpentanamide?
The InChIKey is XIXTZVPZDYNAAI-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H30F2N4O2/c1-23(2,3)12-14(21(26)31)10-19(30)20-18-13-28(4)8-5-9-29(18)22(27-20)16-11-15(24)6-7-17(16)25/h6-7,11,14H,5,8-10,12-13H2,1-4H3,(H2,26,31)/t14-/m0/s1.
What are the key properties of (2R)-2-[2-[3-(2,5-difluorophenyl)-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-4,4-dimethylpentanamide?
(2R)-2-[2-[3-(2,5-difluorophenyl)-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-4,4-dimethylpentanamide has a molecular weight of 432.52 g/mol, XLogP of 3.77, 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-(2,5-difluorophenyl)-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]-2-oxoethyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 58135578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).