6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine

C19H13F3N4O — CID 155389298

IUPAC6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine
SMILESFc1ccc(-c2cnc3cnn(Cc4cccnc4)c3c2)cc1OC(F)F
InChIInChI=1S/C19H13F3N4O/c20-15-4-3-13(7-18(15)27-19(21)22)14-6-17-16(24-9-14)10-25-26(17)11-12-2-1-5-23-8-12/h1-10,19H,11H2
InChIKeySKTBHOWMEXXGRB-UHFFFAOYSA-N
MW370.33 g/mol
LogP4.28
Rot. Bonds5

About 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine

6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine (PubChem CID 155389298) has the molecular formula C19H13F3N4O and a molecular weight of 370.33 g/mol. Its IUPAC name is 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine
PubChem CID155389298
Molecular FormulaC19H13F3N4O
Molecular Weight370.33 g/mol
Exact Mass370.10
IUPAC Name6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine
SMILESFc1ccc(-c2cnc3cnn(Cc4cccnc4)c3c2)cc1OC(F)F
InChIInChI=1S/C19H13F3N4O/c20-15-4-3-13(7-18(15)27-19(21)22)14-6-17-16(24-9-14)10-25-26(17)11-12-2-1-5-23-8-12/h1-10,19H,11H2
InChIKeySKTBHOWMEXXGRB-UHFFFAOYSA-N
XLogP4.28
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine (CID 155389298) is 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine is Fc1ccc(-c2cnc3cnn(Cc4cccnc4)c3c2)cc1OC(F)F.
What is the InChIKey of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine?
The InChIKey is SKTBHOWMEXXGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O/c20-15-4-3-13(7-18(15)27-19(21)22)14-6-17-16(24-9-14)10-25-26(17)11-12-2-1-5-23-8-12/h1-10,19H,11H2.
What are the key properties of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine?
6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine has a molecular weight of 370.33 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155389298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).