5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-thiadiazol-2-amine

C16H11F3N6S — CID 155388921

IUPAC5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)s1
InChIInChI=1S/C16H11F3N6S/c17-11-2-1-8(3-10(11)15(18)19)9-4-13-12(21-5-9)6-22-25(13)7-14-23-24-16(20)26-14/h1-6,15H,7H2,(H2,20,24)
InChIKeyMBOAWJHMUVNNDW-UHFFFAOYSA-N
MW376.37 g/mol
LogP3.66
Rot. Bonds4

About 5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-thiadiazol-2-amine

5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 155388921) has the molecular formula C16H11F3N6S and a molecular weight of 376.37 g/mol. Its IUPAC name is 5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID155388921
Molecular FormulaC16H11F3N6S
Molecular Weight376.37 g/mol
Exact Mass376.07
IUPAC Name5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)s1
InChIInChI=1S/C16H11F3N6S/c17-11-2-1-8(3-10(11)15(18)19)9-4-13-12(21-5-9)6-22-25(13)7-14-23-24-16(20)26-14/h1-6,15H,7H2,(H2,20,24)
InChIKeyMBOAWJHMUVNNDW-UHFFFAOYSA-N
XLogP3.66
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-thiadiazol-2-amine (CID 155388921) is 5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)s1.
What is the InChIKey of 5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is MBOAWJHMUVNNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N6S/c17-11-2-1-8(3-10(11)15(18)19)9-4-13-12(21-5-9)6-22-25(13)7-14-23-24-16(20)26-14/h1-6,15H,7H2,(H2,20,24).
What are the key properties of 5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 376.37 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 155388921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).