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

C20H15F2N7O — CID 170759501

IUPAC5-[3-(difluoromethyl)-6-(2-methylpyrazol-3-yl)-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2cc(-c3ccnn3C)nc3c2c(C(F)F)nn3-c2ccccc2)n1
InChIInChI=1S/C20H15F2N7O/c1-11-24-20(30-27-11)13-10-14(15-8-9-23-28(15)2)25-19-16(13)17(18(21)22)26-29(19)12-6-4-3-5-7-12/h3-10,18H,1-2H3
InChIKeyGZYSSQWMMMSUBI-UHFFFAOYSA-N
MW407.38 g/mol
LogP4.12
Rot. Bonds4

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

5-[3-(difluoromethyl)-6-(2-methylpyrazol-3-yl)-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 170759501) has the molecular formula C20H15F2N7O and a molecular weight of 407.38 g/mol. Its IUPAC name is 5-[3-(difluoromethyl)-6-(2-methylpyrazol-3-yl)-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-(difluoromethyl)-6-(2-methylpyrazol-3-yl)-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID170759501
Molecular FormulaC20H15F2N7O
Molecular Weight407.38 g/mol
Exact Mass407.13
IUPAC Name5-[3-(difluoromethyl)-6-(2-methylpyrazol-3-yl)-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2cc(-c3ccnn3C)nc3c2c(C(F)F)nn3-c2ccccc2)n1
InChIInChI=1S/C20H15F2N7O/c1-11-24-20(30-27-11)13-10-14(15-8-9-23-28(15)2)25-19-16(13)17(18(21)22)26-29(19)12-6-4-3-5-7-12/h3-10,18H,1-2H3
InChIKeyGZYSSQWMMMSUBI-UHFFFAOYSA-N
XLogP4.12
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.38
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(difluoromethyl)-6-(2-methylpyrazol-3-yl)-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[3-(difluoromethyl)-6-(2-methylpyrazol-3-yl)-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-3-methyl-1,2,4-oxadiazole (CID 170759501) is 5-[3-(difluoromethyl)-6-(2-methylpyrazol-3-yl)-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-(difluoromethyl)-6-(2-methylpyrazol-3-yl)-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-(difluoromethyl)-6-(2-methylpyrazol-3-yl)-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-3-methyl-1,2,4-oxadiazole is Cc1noc(-c2cc(-c3ccnn3C)nc3c2c(C(F)F)nn3-c2ccccc2)n1.
What is the InChIKey of 5-[3-(difluoromethyl)-6-(2-methylpyrazol-3-yl)-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is GZYSSQWMMMSUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N7O/c1-11-24-20(30-27-11)13-10-14(15-8-9-23-28(15)2)25-19-16(13)17(18(21)22)26-29(19)12-6-4-3-5-7-12/h3-10,18H,1-2H3.
What are the key properties of 5-[3-(difluoromethyl)-6-(2-methylpyrazol-3-yl)-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-3-methyl-1,2,4-oxadiazole?
5-[3-(difluoromethyl)-6-(2-methylpyrazol-3-yl)-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 407.38 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(difluoromethyl)-6-(2-methylpyrazol-3-yl)-1-phenylpyrazolo[5,4-b]pyridin-4-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 170759501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).