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

C23H19N5O2 — CID 129116944

IUPAC5'-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
SMILESCc1ncccc1-c1ccc2c(c1)-n1nc(-c3cnco3)cc1C(=O)N(C)C21CC1
InChIInChI=1S/C23H19N5O2/c1-14-16(4-3-9-25-14)15-5-6-17-19(10-15)28-20(22(29)27(2)23(17)7-8-23)11-18(26-28)21-12-24-13-30-21/h3-6,9-13H,7-8H2,1-2H3
InChIKeyXRPPFGPKKNETSV-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.97
Rot. Bonds2

About 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

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 (PubChem CID 129116944) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5'-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
PubChem CID129116944
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name5'-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
SMILESCc1ncccc1-c1ccc2c(c1)-n1nc(-c3cnco3)cc1C(=O)N(C)C21CC1
InChIInChI=1S/C23H19N5O2/c1-14-16(4-3-9-25-14)15-5-6-17-19(10-15)28-20(22(29)27(2)23(17)7-8-23)11-18(26-28)21-12-24-13-30-21/h3-6,9-13H,7-8H2,1-2H3
InChIKeyXRPPFGPKKNETSV-UHFFFAOYSA-N
XLogP3.97
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ncccc1-c1ccc2c(c1)-n1nc(-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'-pyrazolo[1,5-a][1,4]benzodiazepine]-4'-one?
The InChIKey is XRPPFGPKKNETSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-14-16(4-3-9-25-14)15-5-6-17-19(10-15)28-20(22(29)27(2)23(17)7-8-23)11-18(26-28)21-12-24-13-30-21/h3-6,9-13H,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'-pyrazolo[1,5-a][1,4]benzodiazepine]-4'-one?
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 has a molecular weight of 397.44 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 6 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'-pyrazolo[1,5-a][1,4]benzodiazepine]-4'-one is sourced from PubChem (CID 129116944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).