6-(3-cyclopropyl-1-propan-2-ylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;ethane

C25H32N4O — CID 176983334

IUPAC6-(3-cyclopropyl-1-propan-2-ylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;ethane
SMILESCC.CC1CC(=O)Nc2cccc(-c3ccc4c(c3)c(C3CC3)nn4C(C)C)c2N1
InChIInChI=1S/C23H26N4O.C2H6/c1-13(2)27-20-10-9-16(12-18(20)22(26-27)15-7-8-15)17-5-4-6-19-23(17)24-14(3)11-21(28)25-19;1-2/h4-6,9-10,12-15,24H,7-8,11H2,1-3H3,(H,25,28);1-2H3
InChIKeyFMECTZCVRHZOPA-UHFFFAOYSA-N
MW404.56 g/mol
LogP6.33
Rot. Bonds3

About 6-(3-cyclopropyl-1-propan-2-ylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;ethane

6-(3-cyclopropyl-1-propan-2-ylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;ethane (PubChem CID 176983334) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is 6-(3-cyclopropyl-1-propan-2-ylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;ethane.

Molecular Properties

Compound Name6-(3-cyclopropyl-1-propan-2-ylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;ethane
PubChem CID176983334
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC Name6-(3-cyclopropyl-1-propan-2-ylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;ethane
SMILESCC.CC1CC(=O)Nc2cccc(-c3ccc4c(c3)c(C3CC3)nn4C(C)C)c2N1
InChIInChI=1S/C23H26N4O.C2H6/c1-13(2)27-20-10-9-16(12-18(20)22(26-27)15-7-8-15)17-5-4-6-19-23(17)24-14(3)11-21(28)25-19;1-2/h4-6,9-10,12-15,24H,7-8,11H2,1-3H3,(H,25,28);1-2H3
InChIKeyFMECTZCVRHZOPA-UHFFFAOYSA-N
XLogP6.33
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.56
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(3-cyclopropyl-1-propan-2-ylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;ethane 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 6-(3-cyclopropyl-1-propan-2-ylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;ethane?
The IUPAC name of 6-(3-cyclopropyl-1-propan-2-ylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;ethane (CID 176983334) is 6-(3-cyclopropyl-1-propan-2-ylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;ethane.
What is the SMILES notation for 6-(3-cyclopropyl-1-propan-2-ylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;ethane?
The canonical SMILES for 6-(3-cyclopropyl-1-propan-2-ylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;ethane is CC.CC1CC(=O)Nc2cccc(-c3ccc4c(c3)c(C3CC3)nn4C(C)C)c2N1.
What is the InChIKey of 6-(3-cyclopropyl-1-propan-2-ylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;ethane?
The InChIKey is FMECTZCVRHZOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O.C2H6/c1-13(2)27-20-10-9-16(12-18(20)22(26-27)15-7-8-15)17-5-4-6-19-23(17)24-14(3)11-21(28)25-19;1-2/h4-6,9-10,12-15,24H,7-8,11H2,1-3H3,(H,25,28);1-2H3.
What are the key properties of 6-(3-cyclopropyl-1-propan-2-ylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;ethane?
6-(3-cyclopropyl-1-propan-2-ylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;ethane has a molecular weight of 404.56 g/mol, XLogP of 6.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyclopropyl-1-propan-2-ylindazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;ethane is sourced from PubChem (CID 176983334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).