6-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

C17H14F5N3O2 — CID 19497805

IUPAC6-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCOc1cc(-c2cc(C(F)(F)F)c3c(C)nn(C)c3n2)ccc1OC(F)F
InChIInChI=1S/C17H14F5N3O2/c1-8-14-10(17(20,21)22)7-11(23-15(14)25(2)24-8)9-4-5-12(27-16(18)19)13(6-9)26-3/h4-7,16H,1-3H3
InChIKeyLAILWABHCQOYGS-UHFFFAOYSA-N
MW387.31 g/mol
LogP4.57
Rot. Bonds4

About 6-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

6-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 19497805) has the molecular formula C17H14F5N3O2 and a molecular weight of 387.31 g/mol. Its IUPAC name is 6-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID19497805
Molecular FormulaC17H14F5N3O2
Molecular Weight387.31 g/mol
Exact Mass387.10
IUPAC Name6-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCOc1cc(-c2cc(C(F)(F)F)c3c(C)nn(C)c3n2)ccc1OC(F)F
InChIInChI=1S/C17H14F5N3O2/c1-8-14-10(17(20,21)22)7-11(23-15(14)25(2)24-8)9-4-5-12(27-16(18)19)13(6-9)26-3/h4-7,16H,1-3H3
InChIKeyLAILWABHCQOYGS-UHFFFAOYSA-N
XLogP4.57
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 6-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 19497805) is 6-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is COc1cc(-c2cc(C(F)(F)F)c3c(C)nn(C)c3n2)ccc1OC(F)F.
What is the InChIKey of 6-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is LAILWABHCQOYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F5N3O2/c1-8-14-10(17(20,21)22)7-11(23-15(14)25(2)24-8)9-4-5-12(27-16(18)19)13(6-9)26-3/h4-7,16H,1-3H3.
What are the key properties of 6-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
6-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 387.31 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 19497805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).