5'-methyl-9'-(2-methyl-3-pyridinyl)-2'-(1,3-oxazol-5-yl)spiro[cyclopropane-1,6'-pyrrolo[1,2-a][1,4]benzodiazepine]-4'-one

C24H20N4O2 — CID 129140666

IUPAC5'-methyl-9'-(2-methyl-3-pyridinyl)-2'-(1,3-oxazol-5-yl)spiro[cyclopropane-1,6'-pyrrolo[1,2-a][1,4]benzodiazepine]-4'-one
SMILESCc1ncccc1-c1ccc2c(c1)-n1cc(-c3cnco3)cc1C(=O)N(C)C21CC1
InChIInChI=1S/C24H20N4O2/c1-15-18(4-3-9-26-15)16-5-6-19-20(10-16)28-13-17(22-12-25-14-30-22)11-21(28)23(29)27(2)24(19)7-8-24/h3-6,9-14H,7-8H2,1-2H3
InChIKeyWDOBQRMMIUPGQK-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.58
Rot. Bonds2

About 5'-methyl-9'-(2-methyl-3-pyridinyl)-2'-(1,3-oxazol-5-yl)spiro[cyclopropane-1,6'-pyrrolo[1,2-a][1,4]benzodiazepine]-4'-one

5'-methyl-9'-(2-methyl-3-pyridinyl)-2'-(1,3-oxazol-5-yl)spiro[cyclopropane-1,6'-pyrrolo[1,2-a][1,4]benzodiazepine]-4'-one (PubChem CID 129140666) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 5'-methyl-9'-(2-methyl-3-pyridinyl)-2'-(1,3-oxazol-5-yl)spiro[cyclopropane-1,6'-pyrrolo[1,2-a][1,4]benzodiazepine]-4'-one.

Molecular Properties

Compound Name5'-methyl-9'-(2-methyl-3-pyridinyl)-2'-(1,3-oxazol-5-yl)spiro[cyclopropane-1,6'-pyrrolo[1,2-a][1,4]benzodiazepine]-4'-one
PubChem CID129140666
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name5'-methyl-9'-(2-methyl-3-pyridinyl)-2'-(1,3-oxazol-5-yl)spiro[cyclopropane-1,6'-pyrrolo[1,2-a][1,4]benzodiazepine]-4'-one
SMILESCc1ncccc1-c1ccc2c(c1)-n1cc(-c3cnco3)cc1C(=O)N(C)C21CC1
InChIInChI=1S/C24H20N4O2/c1-15-18(4-3-9-26-15)16-5-6-19-20(10-16)28-13-17(22-12-25-14-30-22)11-21(28)23(29)27(2)24(19)7-8-24/h3-6,9-14H,7-8H2,1-2H3
InChIKeyWDOBQRMMIUPGQK-UHFFFAOYSA-N
XLogP4.58
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5'-methyl-9'-(2-methyl-3-pyridinyl)-2'-(1,3-oxazol-5-yl)spiro[cyclopropane-1,6'-pyrrolo[1,2-a][1,4]benzodiazepine]-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

Related Compounds

9'-(6-Fluoro-3-pyridinyl)-5'-methyl-2'-(1,3,4-oxadiazol-2-yl)spiro[cyclopropane-1,6'-pyrazolo[1,5-a][1,4]benzodiazepine]-4'-one
CID 129117373
9'-(6-Fluoro-3-pyridinyl)-5'-methyl-2'-(1,3,4-oxadiazol-2-yl)spiro[cyclopropane-1,6'-pyrrolo[1,2-a][1,4]benzodiazepine]-4'-one
CID 129140819
N,N-dimethyl-4-[6-(1,3,4-oxadiazol-2-yl)-5-propylpyrazin-2-yl]-3-(1,3-oxazol-5-yl)benzamide
CID 70883145
N,N-dimethyl-3-(1,3-oxazol-5-yl)-4-[6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzamide
CID 117837862
1-Cyclopropyl-3,3-dimethyl-6-(2-pyridin-3-yl-1,3-oxazol-5-yl)indol-2-one
CID 118525940
1-Cyclopropyl-3,3-dimethyl-6-[2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]indol-2-one
CID 118525998
5'-Methyl-9'-(4-methyl-1,3-oxazol-5-yl)spiro[cyclopropane-1,6'-pyrrolo[1,2-a][1,4]benzodiazepine]-4'-one
CID 129116932
5'-Methyl-9'-(2-methyl-3-pyridinyl)-2'-(1,3-oxazol-5-yl)spiro[cyclopropane-1,6'-pyrazolo[1,5-a][1,4]benzodiazepine]-4'-one
CID 129116944
5'-Methyl-9'-(1,3-oxazol-5-yl)-2'-phenylspiro[cyclopropane-1,6'-pyrazolo[1,5-a][1,4]benzodiazepine]-4'-one
CID 129117097
5'-Methyl-9'-(2-methyl-3-pyridinyl)-2'-(1,3,4-oxadiazol-2-yl)spiro[cyclopropane-1,6'-pyrazolo[1,5-a][1,4]benzodiazepine]-4'-one
CID 129117193
9'-(6-Fluoro-3-pyridinyl)-2'-(1,3,4-oxadiazol-2-yl)-5'-(trideuteriomethyl)spiro[cyclopropane-1,6'-pyrazolo[1,5-a][1,4]benzodiazepine]-4'-one
CID 129117372
3-[5'-Methyl-2'-(1,3,4-oxadiazol-2-yl)-4'-oxospiro[cyclopropane-1,6'-pyrrolo[1,2-a][1,4]benzodiazepine]-9'-yl]benzonitrile
CID 129140664

Frequently Asked Questions

What is the IUPAC name of 5'-methyl-9'-(2-methyl-3-pyridinyl)-2'-(1,3-oxazol-5-yl)spiro[cyclopropane-1,6'-pyrrolo[1,2-a][1,4]benzodiazepine]-4'-one?
The IUPAC name of 5'-methyl-9'-(2-methyl-3-pyridinyl)-2'-(1,3-oxazol-5-yl)spiro[cyclopropane-1,6'-pyrrolo[1,2-a][1,4]benzodiazepine]-4'-one (CID 129140666) is 5'-methyl-9'-(2-methyl-3-pyridinyl)-2'-(1,3-oxazol-5-yl)spiro[cyclopropane-1,6'-pyrrolo[1,2-a][1,4]benzodiazepine]-4'-one.
What is the SMILES notation for 5'-methyl-9'-(2-methyl-3-pyridinyl)-2'-(1,3-oxazol-5-yl)spiro[cyclopropane-1,6'-pyrrolo[1,2-a][1,4]benzodiazepine]-4'-one?
The canonical SMILES for 5'-methyl-9'-(2-methyl-3-pyridinyl)-2'-(1,3-oxazol-5-yl)spiro[cyclopropane-1,6'-pyrrolo[1,2-a][1,4]benzodiazepine]-4'-one is Cc1ncccc1-c1ccc2c(c1)-n1cc(-c3cnco3)cc1C(=O)N(C)C21CC1.
What is the InChIKey of 5'-methyl-9'-(2-methyl-3-pyridinyl)-2'-(1,3-oxazol-5-yl)spiro[cyclopropane-1,6'-pyrrolo[1,2-a][1,4]benzodiazepine]-4'-one?
The InChIKey is WDOBQRMMIUPGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-15-18(4-3-9-26-15)16-5-6-19-20(10-16)28-13-17(22-12-25-14-30-22)11-21(28)23(29)27(2)24(19)7-8-24/h3-6,9-14H,7-8H2,1-2H3.
What are the key properties of 5'-methyl-9'-(2-methyl-3-pyridinyl)-2'-(1,3-oxazol-5-yl)spiro[cyclopropane-1,6'-pyrrolo[1,2-a][1,4]benzodiazepine]-4'-one?
5'-methyl-9'-(2-methyl-3-pyridinyl)-2'-(1,3-oxazol-5-yl)spiro[cyclopropane-1,6'-pyrrolo[1,2-a][1,4]benzodiazepine]-4'-one has a molecular weight of 396.45 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-methyl-9'-(2-methyl-3-pyridinyl)-2'-(1,3-oxazol-5-yl)spiro[cyclopropane-1,6'-pyrrolo[1,2-a][1,4]benzodiazepine]-4'-one is sourced from PubChem (CID 129140666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).