3-(3,5-dimethylpyrazol-1-yl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]propan-1-one

C25H26N6O2 — CID 171145046

IUPAC3-(3,5-dimethylpyrazol-1-yl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]propan-1-one
SMILESCc1cc(C)n(CCC(=O)N2CC(c3cccnc3)C(c3nc(-c4ccccc4)no3)C2)n1
InChIInChI=1S/C25H26N6O2/c1-17-13-18(2)31(28-17)12-10-23(32)30-15-21(20-9-6-11-26-14-20)22(16-30)25-27-24(29-33-25)19-7-4-3-5-8-19/h3-9,11,13-14,21-22H,10,12,15-16H2,1-2H3
InChIKeyOGVAGDNOALRUOI-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.74
Rot. Bonds6

About 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]propan-1-one

3-(3,5-dimethylpyrazol-1-yl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]propan-1-one (PubChem CID 171145046) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]propan-1-one
PubChem CID171145046
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]propan-1-one
SMILESCc1cc(C)n(CCC(=O)N2CC(c3cccnc3)C(c3nc(-c4ccccc4)no3)C2)n1
InChIInChI=1S/C25H26N6O2/c1-17-13-18(2)31(28-17)12-10-23(32)30-15-21(20-9-6-11-26-14-20)22(16-30)25-27-24(29-33-25)19-7-4-3-5-8-19/h3-9,11,13-14,21-22H,10,12,15-16H2,1-2H3
InChIKeyOGVAGDNOALRUOI-UHFFFAOYSA-N
XLogP3.74
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 171145045
(1-methylcyclohexyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 171144465
3-phenyl-5-[(3S,4R)-1-(1-propylpiperidin-4-yl)-4-pyridin-3-ylpyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 146065021
(3S,4R)-1-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 70749566
3-(3,5-dimethylpyrazol-1-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one
CID 163091248
1-[(3R,4R)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 71686901
[3-(hydroxymethyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-phenylmethanone
CID 156611490
1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-phenylethanone
CID 156601559
2-(6-methyl-3-pyridinyl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 138024658
[3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 78149390
1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 126425604
3-[1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]benzoic acid
CID 72873518

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]propan-1-one (CID 171145046) is 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]propan-1-one is Cc1cc(C)n(CCC(=O)N2CC(c3cccnc3)C(c3nc(-c4ccccc4)no3)C2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]propan-1-one?
The InChIKey is OGVAGDNOALRUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-17-13-18(2)31(28-17)12-10-23(32)30-15-21(20-9-6-11-26-14-20)22(16-30)25-27-24(29-33-25)19-7-4-3-5-8-19/h3-9,11,13-14,21-22H,10,12,15-16H2,1-2H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]propan-1-one?
3-(3,5-dimethylpyrazol-1-yl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]propan-1-one has a molecular weight of 442.52 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-pyridin-3-ylpyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 171145046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).