3-(3-methylimidazol-4-yl)-1-[1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-inden-5-yl]pyrazol-3-yl]propan-1-one

C23H22N6O2 — CID 58506158

IUPAC3-(3-methylimidazol-4-yl)-1-[1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-inden-5-yl]pyrazol-3-yl]propan-1-one
SMILESCc1noc(C2=Cc3cc(-c4cc(C(=O)CCc5cncn5C)nn4C)ccc3C2)n1
InChIInChI=1S/C23H22N6O2/c1-14-25-23(31-27-14)18-8-15-4-5-16(9-17(15)10-18)21-11-20(26-29(21)3)22(30)7-6-19-12-24-13-28(19)2/h4-5,9-13H,6-8H2,1-3H3
InChIKeyUNUMUMBTDFDPOG-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.42
Rot. Bonds6

About 3-(3-methylimidazol-4-yl)-1-[1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-inden-5-yl]pyrazol-3-yl]propan-1-one

3-(3-methylimidazol-4-yl)-1-[1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-inden-5-yl]pyrazol-3-yl]propan-1-one (PubChem CID 58506158) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 3-(3-methylimidazol-4-yl)-1-[1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-inden-5-yl]pyrazol-3-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-methylimidazol-4-yl)-1-[1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-inden-5-yl]pyrazol-3-yl]propan-1-one
PubChem CID58506158
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name3-(3-methylimidazol-4-yl)-1-[1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-inden-5-yl]pyrazol-3-yl]propan-1-one
SMILESCc1noc(C2=Cc3cc(-c4cc(C(=O)CCc5cncn5C)nn4C)ccc3C2)n1
InChIInChI=1S/C23H22N6O2/c1-14-25-23(31-27-14)18-8-15-4-5-16(9-17(15)10-18)21-11-20(26-29(21)3)22(30)7-6-19-12-24-13-28(19)2/h4-5,9-13H,6-8H2,1-3H3
InChIKeyUNUMUMBTDFDPOG-UHFFFAOYSA-N
XLogP3.42
TPSA91.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(3-methylimidazol-4-yl)-1-[1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-inden-5-yl]pyrazol-3-yl]propan-1-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 3-(3-methylimidazol-4-yl)-1-[1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-inden-5-yl]pyrazol-3-yl]propan-1-one?
The IUPAC name of 3-(3-methylimidazol-4-yl)-1-[1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-inden-5-yl]pyrazol-3-yl]propan-1-one (CID 58506158) is 3-(3-methylimidazol-4-yl)-1-[1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-inden-5-yl]pyrazol-3-yl]propan-1-one.
What is the SMILES notation for 3-(3-methylimidazol-4-yl)-1-[1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-inden-5-yl]pyrazol-3-yl]propan-1-one?
The canonical SMILES for 3-(3-methylimidazol-4-yl)-1-[1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-inden-5-yl]pyrazol-3-yl]propan-1-one is Cc1noc(C2=Cc3cc(-c4cc(C(=O)CCc5cncn5C)nn4C)ccc3C2)n1.
What is the InChIKey of 3-(3-methylimidazol-4-yl)-1-[1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-inden-5-yl]pyrazol-3-yl]propan-1-one?
The InChIKey is UNUMUMBTDFDPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-14-25-23(31-27-14)18-8-15-4-5-16(9-17(15)10-18)21-11-20(26-29(21)3)22(30)7-6-19-12-24-13-28(19)2/h4-5,9-13H,6-8H2,1-3H3.
What are the key properties of 3-(3-methylimidazol-4-yl)-1-[1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-inden-5-yl]pyrazol-3-yl]propan-1-one?
3-(3-methylimidazol-4-yl)-1-[1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-inden-5-yl]pyrazol-3-yl]propan-1-one has a molecular weight of 414.47 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylimidazol-4-yl)-1-[1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-inden-5-yl]pyrazol-3-yl]propan-1-one is sourced from PubChem (CID 58506158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).