4-(difluoromethyl)-6-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine

C21H17F2N3O — CID 17025751

IUPAC4-(difluoromethyl)-6-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine
SMILESCOc1ccccc1-c1cc(C(F)F)c2c(C)nn(-c3ccccc3)c2n1
InChIInChI=1S/C21H17F2N3O/c1-13-19-16(20(22)23)12-17(15-10-6-7-11-18(15)27-2)24-21(19)26(25-13)14-8-4-3-5-9-14/h3-12,20H,1-2H3
InChIKeyYOVZUTYCAXOMDC-UHFFFAOYSA-N
MW365.38 g/mol
LogP5.34
Rot. Bonds4

About 4-(difluoromethyl)-6-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine

4-(difluoromethyl)-6-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine (PubChem CID 17025751) has the molecular formula C21H17F2N3O and a molecular weight of 365.38 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name4-(difluoromethyl)-6-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine
PubChem CID17025751
Molecular FormulaC21H17F2N3O
Molecular Weight365.38 g/mol
Exact Mass365.13
IUPAC Name4-(difluoromethyl)-6-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine
SMILESCOc1ccccc1-c1cc(C(F)F)c2c(C)nn(-c3ccccc3)c2n1
InChIInChI=1S/C21H17F2N3O/c1-13-19-16(20(22)23)12-17(15-10-6-7-11-18(15)27-2)24-21(19)26(25-13)14-8-4-3-5-9-14/h3-12,20H,1-2H3
InChIKeyYOVZUTYCAXOMDC-UHFFFAOYSA-N
XLogP5.34
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.38
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine?
The IUPAC name of 4-(difluoromethyl)-6-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine (CID 17025751) is 4-(difluoromethyl)-6-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 4-(difluoromethyl)-6-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 4-(difluoromethyl)-6-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine is COc1ccccc1-c1cc(C(F)F)c2c(C)nn(-c3ccccc3)c2n1.
What is the InChIKey of 4-(difluoromethyl)-6-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine?
The InChIKey is YOVZUTYCAXOMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O/c1-13-19-16(20(22)23)12-17(15-10-6-7-11-18(15)27-2)24-21(19)26(25-13)14-8-4-3-5-9-14/h3-12,20H,1-2H3.
What are the key properties of 4-(difluoromethyl)-6-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine?
4-(difluoromethyl)-6-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine has a molecular weight of 365.38 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 17025751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).