6-(4-chlorophenyl)-4-(difluoromethyl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine

C20H13ClF3N3 — CID 29091234

IUPAC6-(4-chlorophenyl)-4-(difluoromethyl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccc(F)cc2)c2nc(-c3ccc(Cl)cc3)cc(C(F)F)c12
InChIInChI=1S/C20H13ClF3N3/c1-11-18-16(19(23)24)10-17(12-2-4-13(21)5-3-12)25-20(18)27(26-11)15-8-6-14(22)7-9-15/h2-10,19H,1H3
InChIKeyULNIOFCTFPXUGQ-UHFFFAOYSA-N
MW387.79 g/mol
LogP6.13
Rot. Bonds3

About 6-(4-chlorophenyl)-4-(difluoromethyl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine

6-(4-chlorophenyl)-4-(difluoromethyl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine (PubChem CID 29091234) has the molecular formula C20H13ClF3N3 and a molecular weight of 387.79 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-4-(difluoromethyl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-4-(difluoromethyl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine
PubChem CID29091234
Molecular FormulaC20H13ClF3N3
Molecular Weight387.79 g/mol
Exact Mass387.08
IUPAC Name6-(4-chlorophenyl)-4-(difluoromethyl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccc(F)cc2)c2nc(-c3ccc(Cl)cc3)cc(C(F)F)c12
InChIInChI=1S/C20H13ClF3N3/c1-11-18-16(19(23)24)10-17(12-2-4-13(21)5-3-12)25-20(18)27(26-11)15-8-6-14(22)7-9-15/h2-10,19H,1H3
InChIKeyULNIOFCTFPXUGQ-UHFFFAOYSA-N
XLogP6.13
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.79
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-4-(difluoromethyl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine?
The IUPAC name of 6-(4-chlorophenyl)-4-(difluoromethyl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine (CID 29091234) is 6-(4-chlorophenyl)-4-(difluoromethyl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-(4-chlorophenyl)-4-(difluoromethyl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-(4-chlorophenyl)-4-(difluoromethyl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine is Cc1nn(-c2ccc(F)cc2)c2nc(-c3ccc(Cl)cc3)cc(C(F)F)c12.
What is the InChIKey of 6-(4-chlorophenyl)-4-(difluoromethyl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine?
The InChIKey is ULNIOFCTFPXUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF3N3/c1-11-18-16(19(23)24)10-17(12-2-4-13(21)5-3-12)25-20(18)27(26-11)15-8-6-14(22)7-9-15/h2-10,19H,1H3.
What are the key properties of 6-(4-chlorophenyl)-4-(difluoromethyl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine?
6-(4-chlorophenyl)-4-(difluoromethyl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine has a molecular weight of 387.79 g/mol, XLogP of 6.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-4-(difluoromethyl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 29091234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).