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

C20H17F2N3OS — CID 29090188

IUPAC4-(difluoromethyl)-1-(4-methoxyphenyl)-3-methyl-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine
SMILESCOc1ccc(-n2nc(C)c3c(C(F)F)cc(-c4ccc(C)s4)nc32)cc1
InChIInChI=1S/C20H17F2N3OS/c1-11-4-9-17(27-11)16-10-15(19(21)22)18-12(2)24-25(20(18)23-16)13-5-7-14(26-3)8-6-13/h4-10,19H,1-3H3
InChIKeyHLKRRHYORYUWCL-UHFFFAOYSA-N
MW385.44 g/mol
LogP5.71
Rot. Bonds4

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

4-(difluoromethyl)-1-(4-methoxyphenyl)-3-methyl-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine (PubChem CID 29090188) has the molecular formula C20H17F2N3OS and a molecular weight of 385.44 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-(4-methoxyphenyl)-3-methyl-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name4-(difluoromethyl)-1-(4-methoxyphenyl)-3-methyl-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine
PubChem CID29090188
Molecular FormulaC20H17F2N3OS
Molecular Weight385.44 g/mol
Exact Mass385.11
IUPAC Name4-(difluoromethyl)-1-(4-methoxyphenyl)-3-methyl-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine
SMILESCOc1ccc(-n2nc(C)c3c(C(F)F)cc(-c4ccc(C)s4)nc32)cc1
InChIInChI=1S/C20H17F2N3OS/c1-11-4-9-17(27-11)16-10-15(19(21)22)18-12(2)24-25(20(18)23-16)13-5-7-14(26-3)8-6-13/h4-10,19H,1-3H3
InChIKeyHLKRRHYORYUWCL-UHFFFAOYSA-N
XLogP5.71
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.44
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-(4-methoxyphenyl)-3-methyl-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 4-(difluoromethyl)-1-(4-methoxyphenyl)-3-methyl-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine (CID 29090188) is 4-(difluoromethyl)-1-(4-methoxyphenyl)-3-methyl-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 4-(difluoromethyl)-1-(4-methoxyphenyl)-3-methyl-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 4-(difluoromethyl)-1-(4-methoxyphenyl)-3-methyl-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine is COc1ccc(-n2nc(C)c3c(C(F)F)cc(-c4ccc(C)s4)nc32)cc1.
What is the InChIKey of 4-(difluoromethyl)-1-(4-methoxyphenyl)-3-methyl-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine?
The InChIKey is HLKRRHYORYUWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3OS/c1-11-4-9-17(27-11)16-10-15(19(21)22)18-12(2)24-25(20(18)23-16)13-5-7-14(26-3)8-6-13/h4-10,19H,1-3H3.
What are the key properties of 4-(difluoromethyl)-1-(4-methoxyphenyl)-3-methyl-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine?
4-(difluoromethyl)-1-(4-methoxyphenyl)-3-methyl-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine has a molecular weight of 385.44 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-(4-methoxyphenyl)-3-methyl-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 29090188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).