13-cyclohexyl-2-fluoro-10-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[1,2-d][1,4]benzodiazepin-6-one

C30H34FN3O2 — CID 66801398

IUPAC13-cyclohexyl-2-fluoro-10-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[1,2-d][1,4]benzodiazepin-6-one
SMILESCc1ccc2c(C3CCCCC3)c3n(c2c1)CC(=O)N(CC(=O)N1CCCCC1)c1ccc(F)cc1-3
InChIInChI=1S/C30H34FN3O2/c1-20-10-12-23-26(16-20)34-19-28(36)33(18-27(35)32-14-6-3-7-15-32)25-13-11-22(31)17-24(25)30(34)29(23)21-8-4-2-5-9-21/h10-13,16-17,21H,2-9,14-15,18-19H2,1H3
InChIKeyLSSAXTYNWMFDQF-UHFFFAOYSA-N
MW487.62 g/mol
LogP6.16
Rot. Bonds3

About 13-cyclohexyl-2-fluoro-10-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[1,2-d][1,4]benzodiazepin-6-one

13-cyclohexyl-2-fluoro-10-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[1,2-d][1,4]benzodiazepin-6-one (PubChem CID 66801398) has the molecular formula C30H34FN3O2 and a molecular weight of 487.62 g/mol. Its IUPAC name is 13-cyclohexyl-2-fluoro-10-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[1,2-d][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name13-cyclohexyl-2-fluoro-10-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[1,2-d][1,4]benzodiazepin-6-one
PubChem CID66801398
Molecular FormulaC30H34FN3O2
Molecular Weight487.62 g/mol
Exact Mass487.26
IUPAC Name13-cyclohexyl-2-fluoro-10-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[1,2-d][1,4]benzodiazepin-6-one
SMILESCc1ccc2c(C3CCCCC3)c3n(c2c1)CC(=O)N(CC(=O)N1CCCCC1)c1ccc(F)cc1-3
InChIInChI=1S/C30H34FN3O2/c1-20-10-12-23-26(16-20)34-19-28(36)33(18-27(35)32-14-6-3-7-15-32)25-13-11-22(31)17-24(25)30(34)29(23)21-8-4-2-5-9-21/h10-13,16-17,21H,2-9,14-15,18-19H2,1H3
InChIKeyLSSAXTYNWMFDQF-UHFFFAOYSA-N
XLogP6.16
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.62
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 13-cyclohexyl-2-fluoro-10-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[1,2-d][1,4]benzodiazepin-6-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 13-cyclohexyl-2-fluoro-10-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[1,2-d][1,4]benzodiazepin-6-one?
The IUPAC name of 13-cyclohexyl-2-fluoro-10-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[1,2-d][1,4]benzodiazepin-6-one (CID 66801398) is 13-cyclohexyl-2-fluoro-10-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[1,2-d][1,4]benzodiazepin-6-one.
What is the SMILES notation for 13-cyclohexyl-2-fluoro-10-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[1,2-d][1,4]benzodiazepin-6-one?
The canonical SMILES for 13-cyclohexyl-2-fluoro-10-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[1,2-d][1,4]benzodiazepin-6-one is Cc1ccc2c(C3CCCCC3)c3n(c2c1)CC(=O)N(CC(=O)N1CCCCC1)c1ccc(F)cc1-3.
What is the InChIKey of 13-cyclohexyl-2-fluoro-10-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[1,2-d][1,4]benzodiazepin-6-one?
The InChIKey is LSSAXTYNWMFDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN3O2/c1-20-10-12-23-26(16-20)34-19-28(36)33(18-27(35)32-14-6-3-7-15-32)25-13-11-22(31)17-24(25)30(34)29(23)21-8-4-2-5-9-21/h10-13,16-17,21H,2-9,14-15,18-19H2,1H3.
What are the key properties of 13-cyclohexyl-2-fluoro-10-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[1,2-d][1,4]benzodiazepin-6-one?
13-cyclohexyl-2-fluoro-10-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[1,2-d][1,4]benzodiazepin-6-one has a molecular weight of 487.62 g/mol, XLogP of 6.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-cyclohexyl-2-fluoro-10-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-7H-indolo[1,2-d][1,4]benzodiazepin-6-one is sourced from PubChem (CID 66801398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).