1-(2,3-dihydro-1H-inden-5-yl)-4-[3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

C25H24N6O2 — CID 166201237

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-4-[3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESCc1cc(C)n(-c2ccc(-c3noc(C4CC(=O)N(c5ccc6c(c5)CCC6)C4)n3)cn2)n1
InChIInChI=1S/C25H24N6O2/c1-15-10-16(2)31(28-15)22-9-7-19(13-26-22)24-27-25(33-29-24)20-12-23(32)30(14-20)21-8-6-17-4-3-5-18(17)11-21/h6-11,13,20H,3-5,12,14H2,1-2H3
InChIKeyFRSJHRZNGLAGOQ-UHFFFAOYSA-N
MW440.51 g/mol
LogP3.94
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-4-[3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

1-(2,3-dihydro-1H-inden-5-yl)-4-[3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (PubChem CID 166201237) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-4-[3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-4-[3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
PubChem CID166201237
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-4-[3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESCc1cc(C)n(-c2ccc(-c3noc(C4CC(=O)N(c5ccc6c(c5)CCC6)C4)n3)cn2)n1
InChIInChI=1S/C25H24N6O2/c1-15-10-16(2)31(28-15)22-9-7-19(13-26-22)24-27-25(33-29-24)20-12-23(32)30(14-20)21-8-6-17-4-3-5-18(17)11-21/h6-11,13,20H,3-5,12,14H2,1-2H3
InChIKeyFRSJHRZNGLAGOQ-UHFFFAOYSA-N
XLogP3.94
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(2,3-dihydro-1H-inden-5-yl)-4-[3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one with MolForge

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Related Compounds

5-[(2R)-azetidin-2-yl]-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 120840761
5-[(2R)-azetidin-2-yl]-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole;hydrochloride
CID 120840760
(4S)-1-(2,3-dihydro-1H-inden-5-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 51894132
4-[3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 154838421
(4R)-1-(4-fluorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 41014908
(4R)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 42586048
1-(3,4-dimethoxyphenyl)-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 16955942
5-(6-azaspiro[2.5]octan-2-yl)-3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 120840795
(4R)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
CID 41014813
(4S)-1-(1,3-benzodioxol-5-yl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 42586113
(4S)-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 41015909
(4R)-1-(3-chlorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 93492742

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-4-[3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-4-[3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (CID 166201237) is 1-(2,3-dihydro-1H-inden-5-yl)-4-[3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-4-[3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-4-[3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is Cc1cc(C)n(-c2ccc(-c3noc(C4CC(=O)N(c5ccc6c(c5)CCC6)C4)n3)cn2)n1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-4-[3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The InChIKey is FRSJHRZNGLAGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-15-10-16(2)31(28-15)22-9-7-19(13-26-22)24-27-25(33-29-24)20-12-23(32)30(14-20)21-8-6-17-4-3-5-18(17)11-21/h6-11,13,20H,3-5,12,14H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-4-[3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
1-(2,3-dihydro-1H-inden-5-yl)-4-[3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one has a molecular weight of 440.51 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-4-[3-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 166201237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).