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

C23H18ClF2N3O — CID 29090062

IUPAC6-(4-chlorophenyl)-3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)pyrazolo[5,4-b]pyridine
SMILESCOc1ccc(-n2nc(C3CC3)c3c(C(F)F)cc(-c4ccc(Cl)cc4)nc32)cc1
InChIInChI=1S/C23H18ClF2N3O/c1-30-17-10-8-16(9-11-17)29-23-20(21(28-29)14-2-3-14)18(22(25)26)12-19(27-23)13-4-6-15(24)7-5-13/h4-12,14,22H,2-3H2,1H3
InChIKeyBAOYCIJQVWGYSP-UHFFFAOYSA-N
MW425.87 g/mol
LogP6.56
Rot. Bonds5

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

6-(4-chlorophenyl)-3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)pyrazolo[5,4-b]pyridine (PubChem CID 29090062) has the molecular formula C23H18ClF2N3O and a molecular weight of 425.87 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)pyrazolo[5,4-b]pyridine
PubChem CID29090062
Molecular FormulaC23H18ClF2N3O
Molecular Weight425.87 g/mol
Exact Mass425.11
IUPAC Name6-(4-chlorophenyl)-3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)pyrazolo[5,4-b]pyridine
SMILESCOc1ccc(-n2nc(C3CC3)c3c(C(F)F)cc(-c4ccc(Cl)cc4)nc32)cc1
InChIInChI=1S/C23H18ClF2N3O/c1-30-17-10-8-16(9-11-17)29-23-20(21(28-29)14-2-3-14)18(22(25)26)12-19(27-23)13-4-6-15(24)7-5-13/h4-12,14,22H,2-3H2,1H3
InChIKeyBAOYCIJQVWGYSP-UHFFFAOYSA-N
XLogP6.56
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.87
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 6-(4-chlorophenyl)-3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)pyrazolo[5,4-b]pyridine (CID 29090062) is 6-(4-chlorophenyl)-3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-(4-chlorophenyl)-3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-(4-chlorophenyl)-3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)pyrazolo[5,4-b]pyridine is COc1ccc(-n2nc(C3CC3)c3c(C(F)F)cc(-c4ccc(Cl)cc4)nc32)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)pyrazolo[5,4-b]pyridine?
The InChIKey is BAOYCIJQVWGYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF2N3O/c1-30-17-10-8-16(9-11-17)29-23-20(21(28-29)14-2-3-14)18(22(25)26)12-19(27-23)13-4-6-15(24)7-5-13/h4-12,14,22H,2-3H2,1H3.
What are the key properties of 6-(4-chlorophenyl)-3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)pyrazolo[5,4-b]pyridine?
6-(4-chlorophenyl)-3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)pyrazolo[5,4-b]pyridine has a molecular weight of 425.87 g/mol, XLogP of 6.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 29090062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).