3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide

C19H17ClN6O2 — CID 24660031

IUPAC3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCc1nn(C)c2ncc(NC(=O)CCc3nc(-c4ccc(Cl)cc4)no3)cc12
InChIInChI=1S/C19H17ClN6O2/c1-11-15-9-14(10-21-19(15)26(2)24-11)22-16(27)7-8-17-23-18(25-28-17)12-3-5-13(20)6-4-12/h3-6,9-10H,7-8H2,1-2H3,(H,22,27)
InChIKeyMTHPGZWIZQWCEP-UHFFFAOYSA-N
MW396.84 g/mol
LogP3.55
Rot. Bonds5

About 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide (PubChem CID 24660031) has the molecular formula C19H17ClN6O2 and a molecular weight of 396.84 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
PubChem CID24660031
Molecular FormulaC19H17ClN6O2
Molecular Weight396.84 g/mol
Exact Mass396.11
IUPAC Name3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCc1nn(C)c2ncc(NC(=O)CCc3nc(-c4ccc(Cl)cc4)no3)cc12
InChIInChI=1S/C19H17ClN6O2/c1-11-15-9-14(10-21-19(15)26(2)24-11)22-16(27)7-8-17-23-18(25-28-17)12-3-5-13(20)6-4-12/h3-6,9-10H,7-8H2,1-2H3,(H,22,27)
InChIKeyMTHPGZWIZQWCEP-UHFFFAOYSA-N
XLogP3.55
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.84
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
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N-(4-chlorophenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
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3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylsulfanylphenyl)propanamide
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3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 30663965
N-(3,4-difluorophenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
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3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-3-nitrophenyl)propanamide
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3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The IUPAC name of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide (CID 24660031) is 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The canonical SMILES for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide is Cc1nn(C)c2ncc(NC(=O)CCc3nc(-c4ccc(Cl)cc4)no3)cc12.
What is the InChIKey of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The InChIKey is MTHPGZWIZQWCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O2/c1-11-15-9-14(10-21-19(15)26(2)24-11)22-16(27)7-8-17-23-18(25-28-17)12-3-5-13(20)6-4-12/h3-6,9-10H,7-8H2,1-2H3,(H,22,27).
What are the key properties of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide has a molecular weight of 396.84 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 24660031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).