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

C19H15F2N3OS — CID 29090038

IUPAC4-(difluoromethyl)-1-(4-methoxyphenyl)-3-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine
SMILESCOc1ccc(-n2nc(C)c3c(C(F)F)cc(-c4cccs4)nc32)cc1
InChIInChI=1S/C19H15F2N3OS/c1-11-17-14(18(20)21)10-15(16-4-3-9-26-16)22-19(17)24(23-11)12-5-7-13(25-2)8-6-12/h3-10,18H,1-2H3
InChIKeyUZXMKOGQCUZLBX-UHFFFAOYSA-N
MW371.41 g/mol
LogP5.40
Rot. Bonds4

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

4-(difluoromethyl)-1-(4-methoxyphenyl)-3-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine (PubChem CID 29090038) has the molecular formula C19H15F2N3OS and a molecular weight of 371.41 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-(4-methoxyphenyl)-3-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name4-(difluoromethyl)-1-(4-methoxyphenyl)-3-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine
PubChem CID29090038
Molecular FormulaC19H15F2N3OS
Molecular Weight371.41 g/mol
Exact Mass371.09
IUPAC Name4-(difluoromethyl)-1-(4-methoxyphenyl)-3-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine
SMILESCOc1ccc(-n2nc(C)c3c(C(F)F)cc(-c4cccs4)nc32)cc1
InChIInChI=1S/C19H15F2N3OS/c1-11-17-14(18(20)21)10-15(16-4-3-9-26-16)22-19(17)24(23-11)12-5-7-13(25-2)8-6-12/h3-10,18H,1-2H3
InChIKeyUZXMKOGQCUZLBX-UHFFFAOYSA-N
XLogP5.40
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.41
LogP ≤ 55.40
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-thiophen-2-ylpyrazolo[5,4-b]pyridine?
The IUPAC name of 4-(difluoromethyl)-1-(4-methoxyphenyl)-3-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine (CID 29090038) is 4-(difluoromethyl)-1-(4-methoxyphenyl)-3-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 4-(difluoromethyl)-1-(4-methoxyphenyl)-3-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 4-(difluoromethyl)-1-(4-methoxyphenyl)-3-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine is COc1ccc(-n2nc(C)c3c(C(F)F)cc(-c4cccs4)nc32)cc1.
What is the InChIKey of 4-(difluoromethyl)-1-(4-methoxyphenyl)-3-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine?
The InChIKey is UZXMKOGQCUZLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3OS/c1-11-17-14(18(20)21)10-15(16-4-3-9-26-16)22-19(17)24(23-11)12-5-7-13(25-2)8-6-12/h3-10,18H,1-2H3.
What are the key properties of 4-(difluoromethyl)-1-(4-methoxyphenyl)-3-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine?
4-(difluoromethyl)-1-(4-methoxyphenyl)-3-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine has a molecular weight of 371.41 g/mol, XLogP of 5.40, 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-thiophen-2-ylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 29090038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).