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

C23H19F2N3O — CID 29090074

IUPAC3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-phenylpyrazolo[5,4-b]pyridine
SMILESCOc1ccc(-n2nc(C3CC3)c3c(C(F)F)cc(-c4ccccc4)nc32)cc1
InChIInChI=1S/C23H19F2N3O/c1-29-17-11-9-16(10-12-17)28-23-20(21(27-28)15-7-8-15)18(22(24)25)13-19(26-23)14-5-3-2-4-6-14/h2-6,9-13,15,22H,7-8H2,1H3
InChIKeyHYBOFJRWGCBCRE-UHFFFAOYSA-N
MW391.42 g/mol
LogP5.91
Rot. Bonds5

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

3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-phenylpyrazolo[5,4-b]pyridine (PubChem CID 29090074) has the molecular formula C23H19F2N3O and a molecular weight of 391.42 g/mol. Its IUPAC name is 3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-phenylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-phenylpyrazolo[5,4-b]pyridine
PubChem CID29090074
Molecular FormulaC23H19F2N3O
Molecular Weight391.42 g/mol
Exact Mass391.15
IUPAC Name3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-phenylpyrazolo[5,4-b]pyridine
SMILESCOc1ccc(-n2nc(C3CC3)c3c(C(F)F)cc(-c4ccccc4)nc32)cc1
InChIInChI=1S/C23H19F2N3O/c1-29-17-11-9-16(10-12-17)28-23-20(21(27-28)15-7-8-15)18(22(24)25)13-19(26-23)14-5-3-2-4-6-14/h2-6,9-13,15,22H,7-8H2,1H3
InChIKeyHYBOFJRWGCBCRE-UHFFFAOYSA-N
XLogP5.91
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.42
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chlorophenyl)-3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)pyrazolo[5,4-b]pyridine
CID 29090062
6-(4-bromophenyl)-3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)pyrazolo[5,4-b]pyridine
CID 29090063
3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-(5-methylthiophen-2-yl)pyrazolo[5,4-b]pyridine
CID 29090068
3-cyclopropyl-4-(difluoromethyl)-6-(4-ethylphenyl)-1-phenylpyrazolo[5,4-b]pyridine
CID 19498007
3-cyclopropyl-4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine
CID 29090117
4-(difluoromethyl)-1,6-bis(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine
CID 29090055
3-cyclopropyl-4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)-1-phenylpyrazolo[5,4-b]pyridine
CID 19498021
4-[4-(difluoromethyl)-6-(3-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]benzoic acid
CID 29090416
4-(difluoromethyl)-1-(4-methoxyphenyl)-3-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine
CID 29090038
4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)-1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine
CID 29090046
3-cyclopropyl-6-naphthalen-2-yl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17026129
3-cyclopropyl-6-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 29096293

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-phenylpyrazolo[5,4-b]pyridine?
The IUPAC name of 3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-phenylpyrazolo[5,4-b]pyridine (CID 29090074) is 3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-phenylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-phenylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-phenylpyrazolo[5,4-b]pyridine is COc1ccc(-n2nc(C3CC3)c3c(C(F)F)cc(-c4ccccc4)nc32)cc1.
What is the InChIKey of 3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-phenylpyrazolo[5,4-b]pyridine?
The InChIKey is HYBOFJRWGCBCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O/c1-29-17-11-9-16(10-12-17)28-23-20(21(27-28)15-7-8-15)18(22(24)25)13-19(26-23)14-5-3-2-4-6-14/h2-6,9-13,15,22H,7-8H2,1H3.
What are the key properties of 3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-phenylpyrazolo[5,4-b]pyridine?
3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-phenylpyrazolo[5,4-b]pyridine has a molecular weight of 391.42 g/mol, XLogP of 5.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-phenylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 29090074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).