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

C18H11F4N3S — CID 155389305

IUPAC6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-fluorothiophen-2-yl)methyl]pyrazolo[4,5-b]pyridine
SMILESFc1ccc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)s1
InChIInChI=1S/C18H11F4N3S/c19-14-3-1-10(5-13(14)18(21)22)11-6-16-15(23-7-11)8-24-25(16)9-12-2-4-17(20)26-12/h1-8,18H,9H2
InChIKeyJOESPRFLHVCGTI-UHFFFAOYSA-N
MW377.37 g/mol
LogP5.42
Rot. Bonds4

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

6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-fluorothiophen-2-yl)methyl]pyrazolo[4,5-b]pyridine (PubChem CID 155389305) has the molecular formula C18H11F4N3S and a molecular weight of 377.37 g/mol. Its IUPAC name is 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-fluorothiophen-2-yl)methyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-fluorothiophen-2-yl)methyl]pyrazolo[4,5-b]pyridine
PubChem CID155389305
Molecular FormulaC18H11F4N3S
Molecular Weight377.37 g/mol
Exact Mass377.06
IUPAC Name6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-fluorothiophen-2-yl)methyl]pyrazolo[4,5-b]pyridine
SMILESFc1ccc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)s1
InChIInChI=1S/C18H11F4N3S/c19-14-3-1-10(5-13(14)18(21)22)11-6-16-15(23-7-11)8-24-25(16)9-12-2-4-17(20)26-12/h1-8,18H,9H2
InChIKeyJOESPRFLHVCGTI-UHFFFAOYSA-N
XLogP5.42
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.37
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-fluorothiophen-2-yl)methyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-fluorothiophen-2-yl)methyl]pyrazolo[4,5-b]pyridine (CID 155389305) is 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-fluorothiophen-2-yl)methyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-fluorothiophen-2-yl)methyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-fluorothiophen-2-yl)methyl]pyrazolo[4,5-b]pyridine is Fc1ccc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)s1.
What is the InChIKey of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-fluorothiophen-2-yl)methyl]pyrazolo[4,5-b]pyridine?
The InChIKey is JOESPRFLHVCGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4N3S/c19-14-3-1-10(5-13(14)18(21)22)11-6-16-15(23-7-11)8-24-25(16)9-12-2-4-17(20)26-12/h1-8,18H,9H2.
What are the key properties of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-fluorothiophen-2-yl)methyl]pyrazolo[4,5-b]pyridine?
6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-fluorothiophen-2-yl)methyl]pyrazolo[4,5-b]pyridine has a molecular weight of 377.37 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-fluorothiophen-2-yl)methyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155389305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).