4,5-dihydro-2H-benzo[g]indazol-3-yl-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

C23H20N6O2 — CID 91905628

IUPAC4,5-dihydro-2H-benzo[g]indazol-3-yl-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1[nH]nc2c1CCc1ccccc1-2)N1CCC(c2noc(-c3ccccn3)n2)C1
InChIInChI=1S/C23H20N6O2/c30-23(20-17-9-8-14-5-1-2-6-16(14)19(17)26-27-20)29-12-10-15(13-29)21-25-22(31-28-21)18-7-3-4-11-24-18/h1-7,11,15H,8-10,12-13H2,(H,26,27)
InChIKeyQHSMUCYGGGDIHT-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.25
Rot. Bonds3

About 4,5-dihydro-2H-benzo[g]indazol-3-yl-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone

4,5-dihydro-2H-benzo[g]indazol-3-yl-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 91905628) has the molecular formula C23H20N6O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is 4,5-dihydro-2H-benzo[g]indazol-3-yl-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name4,5-dihydro-2H-benzo[g]indazol-3-yl-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID91905628
Molecular FormulaC23H20N6O2
Molecular Weight412.45 g/mol
Exact Mass412.16
IUPAC Name4,5-dihydro-2H-benzo[g]indazol-3-yl-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1[nH]nc2c1CCc1ccccc1-2)N1CCC(c2noc(-c3ccccn3)n2)C1
InChIInChI=1S/C23H20N6O2/c30-23(20-17-9-8-14-5-1-2-6-16(14)19(17)26-27-20)29-12-10-15(13-29)21-25-22(31-28-21)18-7-3-4-11-24-18/h1-7,11,15H,8-10,12-13H2,(H,26,27)
InChIKeyQHSMUCYGGGDIHT-UHFFFAOYSA-N
XLogP3.25
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4,5-dihydro-2H-benzo[g]indazol-3-yl-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone 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 4,5-dihydro-2H-benzo[g]indazol-3-yl-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of 4,5-dihydro-2H-benzo[g]indazol-3-yl-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (CID 91905628) is 4,5-dihydro-2H-benzo[g]indazol-3-yl-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 4,5-dihydro-2H-benzo[g]indazol-3-yl-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 4,5-dihydro-2H-benzo[g]indazol-3-yl-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is O=C(c1[nH]nc2c1CCc1ccccc1-2)N1CCC(c2noc(-c3ccccn3)n2)C1.
What is the InChIKey of 4,5-dihydro-2H-benzo[g]indazol-3-yl-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is QHSMUCYGGGDIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2/c30-23(20-17-9-8-14-5-1-2-6-16(14)19(17)26-27-20)29-12-10-15(13-29)21-25-22(31-28-21)18-7-3-4-11-24-18/h1-7,11,15H,8-10,12-13H2,(H,26,27).
What are the key properties of 4,5-dihydro-2H-benzo[g]indazol-3-yl-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
4,5-dihydro-2H-benzo[g]indazol-3-yl-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 412.45 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-2H-benzo[g]indazol-3-yl-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 91905628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).