3-cyclopropyl-4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine

C24H20F3N3O2 — CID 29090117

IUPAC3-cyclopropyl-4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine
SMILESCOc1ccc(-c2cc(C(F)F)c3c(C4CC4)nn(-c4ccc(F)cc4)c3n2)cc1OC
InChIInChI=1S/C24H20F3N3O2/c1-31-19-10-5-14(11-20(19)32-2)18-12-17(23(26)27)21-22(13-3-4-13)29-30(24(21)28-18)16-8-6-15(25)7-9-16/h5-13,23H,3-4H2,1-2H3
InChIKeySBFPBKPPOKPYAZ-UHFFFAOYSA-N
MW439.44 g/mol
LogP6.06
Rot. Bonds6

About 3-cyclopropyl-4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine

3-cyclopropyl-4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine (PubChem CID 29090117) has the molecular formula C24H20F3N3O2 and a molecular weight of 439.44 g/mol. Its IUPAC name is 3-cyclopropyl-4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine
PubChem CID29090117
Molecular FormulaC24H20F3N3O2
Molecular Weight439.44 g/mol
Exact Mass439.15
IUPAC Name3-cyclopropyl-4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine
SMILESCOc1ccc(-c2cc(C(F)F)c3c(C4CC4)nn(-c4ccc(F)cc4)c3n2)cc1OC
InChIInChI=1S/C24H20F3N3O2/c1-31-19-10-5-14(11-20(19)32-2)18-12-17(23(26)27)21-22(13-3-4-13)29-30(24(21)28-18)16-8-6-15(25)7-9-16/h5-13,23H,3-4H2,1-2H3
InChIKeySBFPBKPPOKPYAZ-UHFFFAOYSA-N
XLogP6.06
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.44
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 3-cyclopropyl-4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine (CID 29090117) is 3-cyclopropyl-4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 3-cyclopropyl-4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 3-cyclopropyl-4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine is COc1ccc(-c2cc(C(F)F)c3c(C4CC4)nn(-c4ccc(F)cc4)c3n2)cc1OC.
What is the InChIKey of 3-cyclopropyl-4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine?
The InChIKey is SBFPBKPPOKPYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O2/c1-31-19-10-5-14(11-20(19)32-2)18-12-17(23(26)27)21-22(13-3-4-13)29-30(24(21)28-18)16-8-6-15(25)7-9-16/h5-13,23H,3-4H2,1-2H3.
What are the key properties of 3-cyclopropyl-4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine?
3-cyclopropyl-4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine has a molecular weight of 439.44 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 29090117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).