1-[(1-ethylindazol-3-yl)methyl]-7-fluoro-3,5-dihydro-2H-1,5-benzodiazepin-4-one

C19H19FN4O — CID 167823288

IUPAC1-[(1-ethylindazol-3-yl)methyl]-7-fluoro-3,5-dihydro-2H-1,5-benzodiazepin-4-one
SMILESCCn1nc(CN2CCC(=O)Nc3cc(F)ccc32)c2ccccc21
InChIInChI=1S/C19H19FN4O/c1-2-24-17-6-4-3-5-14(17)16(22-24)12-23-10-9-19(25)21-15-11-13(20)7-8-18(15)23/h3-8,11H,2,9-10,12H2,1H3,(H,21,25)
InChIKeyCQKUXLZTFQOKQI-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.54
Rot. Bonds3

About 1-[(1-ethylindazol-3-yl)methyl]-7-fluoro-3,5-dihydro-2H-1,5-benzodiazepin-4-one

1-[(1-ethylindazol-3-yl)methyl]-7-fluoro-3,5-dihydro-2H-1,5-benzodiazepin-4-one (PubChem CID 167823288) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 1-[(1-ethylindazol-3-yl)methyl]-7-fluoro-3,5-dihydro-2H-1,5-benzodiazepin-4-one.

Molecular Properties

Compound Name1-[(1-ethylindazol-3-yl)methyl]-7-fluoro-3,5-dihydro-2H-1,5-benzodiazepin-4-one
PubChem CID167823288
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name1-[(1-ethylindazol-3-yl)methyl]-7-fluoro-3,5-dihydro-2H-1,5-benzodiazepin-4-one
SMILESCCn1nc(CN2CCC(=O)Nc3cc(F)ccc32)c2ccccc21
InChIInChI=1S/C19H19FN4O/c1-2-24-17-6-4-3-5-14(17)16(22-24)12-23-10-9-19(25)21-15-11-13(20)7-8-18(15)23/h3-8,11H,2,9-10,12H2,1H3,(H,21,25)
InChIKeyCQKUXLZTFQOKQI-UHFFFAOYSA-N
XLogP3.54
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1-ethylindazol-3-yl)methyl]-7-fluoro-3,5-dihydro-2H-1,5-benzodiazepin-4-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 1-[(1-ethylindazol-3-yl)methyl]-7-fluoro-3,5-dihydro-2H-1,5-benzodiazepin-4-one?
The IUPAC name of 1-[(1-ethylindazol-3-yl)methyl]-7-fluoro-3,5-dihydro-2H-1,5-benzodiazepin-4-one (CID 167823288) is 1-[(1-ethylindazol-3-yl)methyl]-7-fluoro-3,5-dihydro-2H-1,5-benzodiazepin-4-one.
What is the SMILES notation for 1-[(1-ethylindazol-3-yl)methyl]-7-fluoro-3,5-dihydro-2H-1,5-benzodiazepin-4-one?
The canonical SMILES for 1-[(1-ethylindazol-3-yl)methyl]-7-fluoro-3,5-dihydro-2H-1,5-benzodiazepin-4-one is CCn1nc(CN2CCC(=O)Nc3cc(F)ccc32)c2ccccc21.
What is the InChIKey of 1-[(1-ethylindazol-3-yl)methyl]-7-fluoro-3,5-dihydro-2H-1,5-benzodiazepin-4-one?
The InChIKey is CQKUXLZTFQOKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-2-24-17-6-4-3-5-14(17)16(22-24)12-23-10-9-19(25)21-15-11-13(20)7-8-18(15)23/h3-8,11H,2,9-10,12H2,1H3,(H,21,25).
What are the key properties of 1-[(1-ethylindazol-3-yl)methyl]-7-fluoro-3,5-dihydro-2H-1,5-benzodiazepin-4-one?
1-[(1-ethylindazol-3-yl)methyl]-7-fluoro-3,5-dihydro-2H-1,5-benzodiazepin-4-one has a molecular weight of 338.39 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylindazol-3-yl)methyl]-7-fluoro-3,5-dihydro-2H-1,5-benzodiazepin-4-one is sourced from PubChem (CID 167823288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).