4-(difluoromethyl)-6-(3,4-dimethylphenyl)-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine

C19H21F2N3 — CID 19497887

IUPAC4-(difluoromethyl)-6-(3,4-dimethylphenyl)-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine
SMILESCc1ccc(-c2cc(C(F)F)c3c(C)nn(C(C)C)c3n2)cc1C
InChIInChI=1S/C19H21F2N3/c1-10(2)24-19-17(13(5)23-24)15(18(20)21)9-16(22-19)14-7-6-11(3)12(4)8-14/h6-10,18H,1-5H3
InChIKeyXZUKLLLKBICRMM-UHFFFAOYSA-N
MW329.39 g/mol
LogP5.54
Rot. Bonds3

About 4-(difluoromethyl)-6-(3,4-dimethylphenyl)-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine

4-(difluoromethyl)-6-(3,4-dimethylphenyl)-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine (PubChem CID 19497887) has the molecular formula C19H21F2N3 and a molecular weight of 329.39 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-(3,4-dimethylphenyl)-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name4-(difluoromethyl)-6-(3,4-dimethylphenyl)-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine
PubChem CID19497887
Molecular FormulaC19H21F2N3
Molecular Weight329.39 g/mol
Exact Mass329.17
IUPAC Name4-(difluoromethyl)-6-(3,4-dimethylphenyl)-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine
SMILESCc1ccc(-c2cc(C(F)F)c3c(C)nn(C(C)C)c3n2)cc1C
InChIInChI=1S/C19H21F2N3/c1-10(2)24-19-17(13(5)23-24)15(18(20)21)9-16(22-19)14-7-6-11(3)12(4)8-14/h6-10,18H,1-5H3
InChIKeyXZUKLLLKBICRMM-UHFFFAOYSA-N
XLogP5.54
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.39
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-(3,4-dimethylphenyl)-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine?
The IUPAC name of 4-(difluoromethyl)-6-(3,4-dimethylphenyl)-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine (CID 19497887) is 4-(difluoromethyl)-6-(3,4-dimethylphenyl)-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 4-(difluoromethyl)-6-(3,4-dimethylphenyl)-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 4-(difluoromethyl)-6-(3,4-dimethylphenyl)-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine is Cc1ccc(-c2cc(C(F)F)c3c(C)nn(C(C)C)c3n2)cc1C.
What is the InChIKey of 4-(difluoromethyl)-6-(3,4-dimethylphenyl)-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine?
The InChIKey is XZUKLLLKBICRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3/c1-10(2)24-19-17(13(5)23-24)15(18(20)21)9-16(22-19)14-7-6-11(3)12(4)8-14/h6-10,18H,1-5H3.
What are the key properties of 4-(difluoromethyl)-6-(3,4-dimethylphenyl)-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine?
4-(difluoromethyl)-6-(3,4-dimethylphenyl)-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine has a molecular weight of 329.39 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-(3,4-dimethylphenyl)-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 19497887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).