3-methyl-5-[3-methyl-6-(2-methylpyrazol-3-yl)-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazole

C20H17N7O — CID 170759454

IUPAC3-methyl-5-[3-methyl-6-(2-methylpyrazol-3-yl)-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazole
SMILESCc1noc(-c2cc(-c3ccnn3C)nc3c2c(C)nn3-c2ccccc2)n1
InChIInChI=1S/C20H17N7O/c1-12-18-15(20-22-13(2)25-28-20)11-16(17-9-10-21-26(17)3)23-19(18)27(24-12)14-7-5-4-6-8-14/h4-11H,1-3H3
InChIKeyBNSAGIAUIJRWQB-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.49
Rot. Bonds3

About 3-methyl-5-[3-methyl-6-(2-methylpyrazol-3-yl)-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazole

3-methyl-5-[3-methyl-6-(2-methylpyrazol-3-yl)-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazole (PubChem CID 170759454) has the molecular formula C20H17N7O and a molecular weight of 371.40 g/mol. Its IUPAC name is 3-methyl-5-[3-methyl-6-(2-methylpyrazol-3-yl)-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[3-methyl-6-(2-methylpyrazol-3-yl)-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazole
PubChem CID170759454
Molecular FormulaC20H17N7O
Molecular Weight371.40 g/mol
Exact Mass371.15
IUPAC Name3-methyl-5-[3-methyl-6-(2-methylpyrazol-3-yl)-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazole
SMILESCc1noc(-c2cc(-c3ccnn3C)nc3c2c(C)nn3-c2ccccc2)n1
InChIInChI=1S/C20H17N7O/c1-12-18-15(20-22-13(2)25-28-20)11-16(17-9-10-21-26(17)3)23-19(18)27(24-12)14-7-5-4-6-8-14/h4-11H,1-3H3
InChIKeyBNSAGIAUIJRWQB-UHFFFAOYSA-N
XLogP3.49
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[3-methyl-6-(2-methylpyrazol-3-yl)-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[3-methyl-6-(2-methylpyrazol-3-yl)-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazole (CID 170759454) is 3-methyl-5-[3-methyl-6-(2-methylpyrazol-3-yl)-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[3-methyl-6-(2-methylpyrazol-3-yl)-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[3-methyl-6-(2-methylpyrazol-3-yl)-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazole is Cc1noc(-c2cc(-c3ccnn3C)nc3c2c(C)nn3-c2ccccc2)n1.
What is the InChIKey of 3-methyl-5-[3-methyl-6-(2-methylpyrazol-3-yl)-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazole?
The InChIKey is BNSAGIAUIJRWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O/c1-12-18-15(20-22-13(2)25-28-20)11-16(17-9-10-21-26(17)3)23-19(18)27(24-12)14-7-5-4-6-8-14/h4-11H,1-3H3.
What are the key properties of 3-methyl-5-[3-methyl-6-(2-methylpyrazol-3-yl)-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazole?
3-methyl-5-[3-methyl-6-(2-methylpyrazol-3-yl)-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazole has a molecular weight of 371.40 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[3-methyl-6-(2-methylpyrazol-3-yl)-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 170759454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).