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

C22H18F3N3 — CID 29096024

IUPAC4-(difluoromethyl)-6-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine
SMILESCc1ccc(Cn2nc(C)c3c(C(F)F)cc(-c4ccc(F)cc4)nc32)cc1
InChIInChI=1S/C22H18F3N3/c1-13-3-5-15(6-4-13)12-28-22-20(14(2)27-28)18(21(24)25)11-19(26-22)16-7-9-17(23)10-8-16/h3-11,21H,12H2,1-2H3
InChIKeyOUMAKZIZZJEIKH-UHFFFAOYSA-N
MW381.40 g/mol
LogP5.84
Rot. Bonds4

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

4-(difluoromethyl)-6-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine (PubChem CID 29096024) has the molecular formula C22H18F3N3 and a molecular weight of 381.40 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name4-(difluoromethyl)-6-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine
PubChem CID29096024
Molecular FormulaC22H18F3N3
Molecular Weight381.40 g/mol
Exact Mass381.15
IUPAC Name4-(difluoromethyl)-6-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine
SMILESCc1ccc(Cn2nc(C)c3c(C(F)F)cc(-c4ccc(F)cc4)nc32)cc1
InChIInChI=1S/C22H18F3N3/c1-13-3-5-15(6-4-13)12-28-22-20(14(2)27-28)18(21(24)25)11-19(26-22)16-7-9-17(23)10-8-16/h3-11,21H,12H2,1-2H3
InChIKeyOUMAKZIZZJEIKH-UHFFFAOYSA-N
XLogP5.84
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.40
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-cyclopropyl-4-(difluoromethyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine
CID 29096189
2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]acetamide
CID 19501633
6-(1,3-benzodioxol-5-yl)-1-benzyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridine
CID 19497762
1-[[4-(4-fluorophenoxy)phenyl]methyl]-6-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 118424720
6-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridine
CID 29090612
4-(difluoromethyl)-1-(2-fluorophenyl)-6-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine
CID 29096043
1-benzyl-4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-3-methylpyrazolo[5,4-b]pyridine
CID 19497756
methyl 2-[4-(difluoromethyl)-6-(4-ethylphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetate
CID 29091603
2-[4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 19497248
2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19503553
N-(1-benzyl-5-methylpyrazol-3-yl)-2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]acetamide
CID 19501827
2-[4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-1-yl]-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]acetamide
CID 19497277

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine?
The IUPAC name of 4-(difluoromethyl)-6-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine (CID 29096024) is 4-(difluoromethyl)-6-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 4-(difluoromethyl)-6-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine?
The canonical SMILES for 4-(difluoromethyl)-6-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine is Cc1ccc(Cn2nc(C)c3c(C(F)F)cc(-c4ccc(F)cc4)nc32)cc1.
What is the InChIKey of 4-(difluoromethyl)-6-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine?
The InChIKey is OUMAKZIZZJEIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3/c1-13-3-5-15(6-4-13)12-28-22-20(14(2)27-28)18(21(24)25)11-19(26-22)16-7-9-17(23)10-8-16/h3-11,21H,12H2,1-2H3.
What are the key properties of 4-(difluoromethyl)-6-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine?
4-(difluoromethyl)-6-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine has a molecular weight of 381.40 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 29096024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).