1,6-bis(4-fluorophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

C19H10F5N3 — CID 29090924

IUPAC1,6-bis(4-fluorophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESFc1ccc(-c2cc(C(F)(F)F)c3cnn(-c4ccc(F)cc4)c3n2)cc1
InChIInChI=1S/C19H10F5N3/c20-12-3-1-11(2-4-12)17-9-16(19(22,23)24)15-10-25-27(18(15)26-17)14-7-5-13(21)6-8-14/h1-10H
InChIKeyPNFRGGOQILGDEB-UHFFFAOYSA-N
MW375.30 g/mol
LogP5.38
Rot. Bonds2

About 1,6-bis(4-fluorophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

1,6-bis(4-fluorophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 29090924) has the molecular formula C19H10F5N3 and a molecular weight of 375.30 g/mol. Its IUPAC name is 1,6-bis(4-fluorophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1,6-bis(4-fluorophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID29090924
Molecular FormulaC19H10F5N3
Molecular Weight375.30 g/mol
Exact Mass375.08
IUPAC Name1,6-bis(4-fluorophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESFc1ccc(-c2cc(C(F)(F)F)c3cnn(-c4ccc(F)cc4)c3n2)cc1
InChIInChI=1S/C19H10F5N3/c20-12-3-1-11(2-4-12)17-9-16(19(22,23)24)15-10-25-27(18(15)26-17)14-7-5-13(21)6-8-14/h1-10H
InChIKeyPNFRGGOQILGDEB-UHFFFAOYSA-N
XLogP5.38
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.30
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,6-bis(4-fluorophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 1,6-bis(4-fluorophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 29090924) is 1,6-bis(4-fluorophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1,6-bis(4-fluorophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1,6-bis(4-fluorophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is Fc1ccc(-c2cc(C(F)(F)F)c3cnn(-c4ccc(F)cc4)c3n2)cc1.
What is the InChIKey of 1,6-bis(4-fluorophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is PNFRGGOQILGDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F5N3/c20-12-3-1-11(2-4-12)17-9-16(19(22,23)24)15-10-25-27(18(15)26-17)14-7-5-13(21)6-8-14/h1-10H.
What are the key properties of 1,6-bis(4-fluorophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
1,6-bis(4-fluorophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 375.30 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(4-fluorophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 29090924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).