5'-methyl-2'-(1,3,4-oxadiazol-2-yl)-9'-pyridazin-3-ylspiro[cyclopropane-1,6'-pyrazolo[1,5-a][1,4]benzodiazepine]-4'-one

C20H15N7O2 — CID 129117033

IUPAC5'-methyl-2'-(1,3,4-oxadiazol-2-yl)-9'-pyridazin-3-ylspiro[cyclopropane-1,6'-pyrazolo[1,5-a][1,4]benzodiazepine]-4'-one
SMILESCN1C(=O)c2cc(-c3nnco3)nn2-c2cc(-c3cccnn3)ccc2C12CC2
InChIInChI=1S/C20H15N7O2/c1-26-19(28)17-10-15(18-24-22-11-29-18)25-27(17)16-9-12(14-3-2-8-21-23-14)4-5-13(16)20(26)6-7-20/h2-5,8-11H,6-7H2,1H3
InChIKeyPRPFRJBBGSLUBD-UHFFFAOYSA-N
MW385.39 g/mol
LogP2.45
Rot. Bonds2

About 5'-methyl-2'-(1,3,4-oxadiazol-2-yl)-9'-pyridazin-3-ylspiro[cyclopropane-1,6'-pyrazolo[1,5-a][1,4]benzodiazepine]-4'-one

5'-methyl-2'-(1,3,4-oxadiazol-2-yl)-9'-pyridazin-3-ylspiro[cyclopropane-1,6'-pyrazolo[1,5-a][1,4]benzodiazepine]-4'-one (PubChem CID 129117033) has the molecular formula C20H15N7O2 and a molecular weight of 385.39 g/mol. Its IUPAC name is 5'-methyl-2'-(1,3,4-oxadiazol-2-yl)-9'-pyridazin-3-ylspiro[cyclopropane-1,6'-pyrazolo[1,5-a][1,4]benzodiazepine]-4'-one.

Molecular Properties

Compound Name5'-methyl-2'-(1,3,4-oxadiazol-2-yl)-9'-pyridazin-3-ylspiro[cyclopropane-1,6'-pyrazolo[1,5-a][1,4]benzodiazepine]-4'-one
PubChem CID129117033
Molecular FormulaC20H15N7O2
Molecular Weight385.39 g/mol
Exact Mass385.13
IUPAC Name5'-methyl-2'-(1,3,4-oxadiazol-2-yl)-9'-pyridazin-3-ylspiro[cyclopropane-1,6'-pyrazolo[1,5-a][1,4]benzodiazepine]-4'-one
SMILESCN1C(=O)c2cc(-c3nnco3)nn2-c2cc(-c3cccnn3)ccc2C12CC2
InChIInChI=1S/C20H15N7O2/c1-26-19(28)17-10-15(18-24-22-11-29-18)25-27(17)16-9-12(14-3-2-8-21-23-14)4-5-13(16)20(26)6-7-20/h2-5,8-11H,6-7H2,1H3
InChIKeyPRPFRJBBGSLUBD-UHFFFAOYSA-N
XLogP2.45
TPSA102.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5'-methyl-2'-(1,3,4-oxadiazol-2-yl)-9'-pyridazin-3-ylspiro[cyclopropane-1,6'-pyrazolo[1,5-a][1,4]benzodiazepine]-4'-one?
The IUPAC name of 5'-methyl-2'-(1,3,4-oxadiazol-2-yl)-9'-pyridazin-3-ylspiro[cyclopropane-1,6'-pyrazolo[1,5-a][1,4]benzodiazepine]-4'-one (CID 129117033) is 5'-methyl-2'-(1,3,4-oxadiazol-2-yl)-9'-pyridazin-3-ylspiro[cyclopropane-1,6'-pyrazolo[1,5-a][1,4]benzodiazepine]-4'-one.
What is the SMILES notation for 5'-methyl-2'-(1,3,4-oxadiazol-2-yl)-9'-pyridazin-3-ylspiro[cyclopropane-1,6'-pyrazolo[1,5-a][1,4]benzodiazepine]-4'-one?
The canonical SMILES for 5'-methyl-2'-(1,3,4-oxadiazol-2-yl)-9'-pyridazin-3-ylspiro[cyclopropane-1,6'-pyrazolo[1,5-a][1,4]benzodiazepine]-4'-one is CN1C(=O)c2cc(-c3nnco3)nn2-c2cc(-c3cccnn3)ccc2C12CC2.
What is the InChIKey of 5'-methyl-2'-(1,3,4-oxadiazol-2-yl)-9'-pyridazin-3-ylspiro[cyclopropane-1,6'-pyrazolo[1,5-a][1,4]benzodiazepine]-4'-one?
The InChIKey is PRPFRJBBGSLUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7O2/c1-26-19(28)17-10-15(18-24-22-11-29-18)25-27(17)16-9-12(14-3-2-8-21-23-14)4-5-13(16)20(26)6-7-20/h2-5,8-11H,6-7H2,1H3.
What are the key properties of 5'-methyl-2'-(1,3,4-oxadiazol-2-yl)-9'-pyridazin-3-ylspiro[cyclopropane-1,6'-pyrazolo[1,5-a][1,4]benzodiazepine]-4'-one?
5'-methyl-2'-(1,3,4-oxadiazol-2-yl)-9'-pyridazin-3-ylspiro[cyclopropane-1,6'-pyrazolo[1,5-a][1,4]benzodiazepine]-4'-one has a molecular weight of 385.39 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-methyl-2'-(1,3,4-oxadiazol-2-yl)-9'-pyridazin-3-ylspiro[cyclopropane-1,6'-pyrazolo[1,5-a][1,4]benzodiazepine]-4'-one is sourced from PubChem (CID 129117033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).