5-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole

C19H18N6O — CID 167804875

IUPAC5-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESCc1nn(-c2ccccc2)c2ncc(-c3nc(C4CCCN4)no3)cc12
InChIInChI=1S/C19H18N6O/c1-12-15-10-13(19-22-17(24-26-19)16-8-5-9-20-16)11-21-18(15)25(23-12)14-6-3-2-4-7-14/h2-4,6-7,10-11,16,20H,5,8-9H2,1H3
InChIKeyWDNXGZPYGPKKAM-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.20
Rot. Bonds3

About 5-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole

5-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole (PubChem CID 167804875) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 5-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
PubChem CID167804875
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name5-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESCc1nn(-c2ccccc2)c2ncc(-c3nc(C4CCCN4)no3)cc12
InChIInChI=1S/C19H18N6O/c1-12-15-10-13(19-22-17(24-26-19)16-8-5-9-20-16)11-21-18(15)25(23-12)14-6-3-2-4-7-14/h2-4,6-7,10-11,16,20H,5,8-9H2,1H3
InChIKeyWDNXGZPYGPKKAM-UHFFFAOYSA-N
XLogP3.20
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(2,3-dimethylphenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317314
5-(2-methyl-4-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 106753992
3-(azepan-2-yl)-5-(3,5-dimethylphenyl)-1,2,4-oxadiazole
CID 103972133
3-pyrrolidin-2-yl-5-quinoxalin-6-yl-1,2,4-oxadiazole
CID 63317724
5-(1-methylimidazol-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 104879912
5-(2,6-dichlorophenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 55204134
5-(1-benzofuran-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317491
5-(2,6-difluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916016
5-(4-methoxyphenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916010
5-(1,5-dimethylpyrazol-4-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916819
3-(azepan-2-yl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 104541119
5-(3,4-dimethoxyphenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916810

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole (CID 167804875) is 5-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole is Cc1nn(-c2ccccc2)c2ncc(-c3nc(C4CCCN4)no3)cc12.
What is the InChIKey of 5-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The InChIKey is WDNXGZPYGPKKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-12-15-10-13(19-22-17(24-26-19)16-8-5-9-20-16)11-21-18(15)25(23-12)14-6-3-2-4-7-14/h2-4,6-7,10-11,16,20H,5,8-9H2,1H3.
What are the key properties of 5-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
5-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole has a molecular weight of 346.39 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 167804875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).