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

C21H22N4O — CID 121271781

IUPAC(4R)-6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
SMILESC[C@@H]1CC(=O)Nc2cccc(-c3ccc4c(c3)c(C3CC3)nn4C)c2N1
InChIInChI=1S/C21H22N4O/c1-12-10-19(26)23-17-5-3-4-15(21(17)22-12)14-8-9-18-16(11-14)20(13-6-7-13)24-25(18)2/h3-5,8-9,11-13,22H,6-7,10H2,1-2H3,(H,23,26)/t12-/m1/s1
InChIKeyRUOHSEWJRWMCPQ-GFCCVEGCSA-N
MW346.43 g/mol
LogP4.26
Rot. Bonds2

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

(4R)-6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one (PubChem CID 121271781) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is (4R)-6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name(4R)-6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
PubChem CID121271781
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name(4R)-6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
SMILESC[C@@H]1CC(=O)Nc2cccc(-c3ccc4c(c3)c(C3CC3)nn4C)c2N1
InChIInChI=1S/C21H22N4O/c1-12-10-19(26)23-17-5-3-4-15(21(17)22-12)14-8-9-18-16(11-14)20(13-6-7-13)24-25(18)2/h3-5,8-9,11-13,22H,6-7,10H2,1-2H3,(H,23,26)/t12-/m1/s1
InChIKeyRUOHSEWJRWMCPQ-GFCCVEGCSA-N
XLogP4.26
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R)-6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-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)-6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The IUPAC name of (4R)-6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one (CID 121271781) is (4R)-6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for (4R)-6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The canonical SMILES for (4R)-6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one is C[C@@H]1CC(=O)Nc2cccc(-c3ccc4c(c3)c(C3CC3)nn4C)c2N1.
What is the InChIKey of (4R)-6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The InChIKey is RUOHSEWJRWMCPQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H22N4O/c1-12-10-19(26)23-17-5-3-4-15(21(17)22-12)14-8-9-18-16(11-14)20(13-6-7-13)24-25(18)2/h3-5,8-9,11-13,22H,6-7,10H2,1-2H3,(H,23,26)/t12-/m1/s1.
What are the key properties of (4R)-6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
(4R)-6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one has a molecular weight of 346.43 g/mol, XLogP of 4.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-(3-cyclopropyl-1-methylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 121271781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).