(4R)-4-methyl-6-(2-methylindazol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one

C18H18N4O — CID 121277888

IUPAC(4R)-4-methyl-6-(2-methylindazol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
SMILESC[C@@H]1CC(=O)Nc2cccc(-c3ccc4cn(C)nc4c3)c2N1
InChIInChI=1S/C18H18N4O/c1-11-8-17(23)20-15-5-3-4-14(18(15)19-11)12-6-7-13-10-22(2)21-16(13)9-12/h3-7,9-11,19H,8H2,1-2H3,(H,20,23)/t11-/m1/s1
InChIKeyGDSCWBCXSUPQFC-LLVKDONJSA-N
MW306.37 g/mol
LogP3.38
Rot. Bonds1

About (4R)-4-methyl-6-(2-methylindazol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one

(4R)-4-methyl-6-(2-methylindazol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one (PubChem CID 121277888) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is (4R)-4-methyl-6-(2-methylindazol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name(4R)-4-methyl-6-(2-methylindazol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
PubChem CID121277888
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name(4R)-4-methyl-6-(2-methylindazol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
SMILESC[C@@H]1CC(=O)Nc2cccc(-c3ccc4cn(C)nc4c3)c2N1
InChIInChI=1S/C18H18N4O/c1-11-8-17(23)20-15-5-3-4-14(18(15)19-11)12-6-7-13-10-22(2)21-16(13)9-12/h3-7,9-11,19H,8H2,1-2H3,(H,20,23)/t11-/m1/s1
InChIKeyGDSCWBCXSUPQFC-LLVKDONJSA-N
XLogP3.38
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R)-4-methyl-6-(2-methylindazol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one 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 (4R)-4-methyl-6-(2-methylindazol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The IUPAC name of (4R)-4-methyl-6-(2-methylindazol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one (CID 121277888) is (4R)-4-methyl-6-(2-methylindazol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for (4R)-4-methyl-6-(2-methylindazol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The canonical SMILES for (4R)-4-methyl-6-(2-methylindazol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one is C[C@@H]1CC(=O)Nc2cccc(-c3ccc4cn(C)nc4c3)c2N1.
What is the InChIKey of (4R)-4-methyl-6-(2-methylindazol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The InChIKey is GDSCWBCXSUPQFC-LLVKDONJSA-N. The full InChI is InChI=1S/C18H18N4O/c1-11-8-17(23)20-15-5-3-4-14(18(15)19-11)12-6-7-13-10-22(2)21-16(13)9-12/h3-7,9-11,19H,8H2,1-2H3,(H,20,23)/t11-/m1/s1.
What are the key properties of (4R)-4-methyl-6-(2-methylindazol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
(4R)-4-methyl-6-(2-methylindazol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one has a molecular weight of 306.37 g/mol, XLogP of 3.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-6-(2-methylindazol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 121277888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).