4-[4-[(2R)-2,4-dimethylpentoxy]-3-fluorophenyl]-1-methylpyrazolo[3,4-b]pyridine

C20H24FN3O — CID 145286257

IUPAC4-[4-[(2R)-2,4-dimethylpentoxy]-3-fluorophenyl]-1-methylpyrazolo[3,4-b]pyridine
SMILESCC(C)C[C@@H](C)COc1ccc(-c2ccnc3c2cnn3C)cc1F
InChIInChI=1S/C20H24FN3O/c1-13(2)9-14(3)12-25-19-6-5-15(10-18(19)21)16-7-8-22-20-17(16)11-23-24(20)4/h5-8,10-11,13-14H,9,12H2,1-4H3/t14-/m1/s1
InChIKeyNKMRHCBSZMRAEP-CQSZACIVSA-N
MW341.43 g/mol
LogP4.84
Rot. Bonds6

About 4-[4-[(2R)-2,4-dimethylpentoxy]-3-fluorophenyl]-1-methylpyrazolo[3,4-b]pyridine

4-[4-[(2R)-2,4-dimethylpentoxy]-3-fluorophenyl]-1-methylpyrazolo[3,4-b]pyridine (PubChem CID 145286257) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is 4-[4-[(2R)-2,4-dimethylpentoxy]-3-fluorophenyl]-1-methylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-[4-[(2R)-2,4-dimethylpentoxy]-3-fluorophenyl]-1-methylpyrazolo[3,4-b]pyridine
PubChem CID145286257
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name4-[4-[(2R)-2,4-dimethylpentoxy]-3-fluorophenyl]-1-methylpyrazolo[3,4-b]pyridine
SMILESCC(C)C[C@@H](C)COc1ccc(-c2ccnc3c2cnn3C)cc1F
InChIInChI=1S/C20H24FN3O/c1-13(2)9-14(3)12-25-19-6-5-15(10-18(19)21)16-7-8-22-20-17(16)11-23-24(20)4/h5-8,10-11,13-14H,9,12H2,1-4H3/t14-/m1/s1
InChIKeyNKMRHCBSZMRAEP-CQSZACIVSA-N
XLogP4.84
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2R)-2,4-dimethylpentoxy]-3-fluorophenyl]-1-methylpyrazolo[3,4-b]pyridine?
The IUPAC name of 4-[4-[(2R)-2,4-dimethylpentoxy]-3-fluorophenyl]-1-methylpyrazolo[3,4-b]pyridine (CID 145286257) is 4-[4-[(2R)-2,4-dimethylpentoxy]-3-fluorophenyl]-1-methylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4-[4-[(2R)-2,4-dimethylpentoxy]-3-fluorophenyl]-1-methylpyrazolo[3,4-b]pyridine?
The canonical SMILES for 4-[4-[(2R)-2,4-dimethylpentoxy]-3-fluorophenyl]-1-methylpyrazolo[3,4-b]pyridine is CC(C)C[C@@H](C)COc1ccc(-c2ccnc3c2cnn3C)cc1F.
What is the InChIKey of 4-[4-[(2R)-2,4-dimethylpentoxy]-3-fluorophenyl]-1-methylpyrazolo[3,4-b]pyridine?
The InChIKey is NKMRHCBSZMRAEP-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-13(2)9-14(3)12-25-19-6-5-15(10-18(19)21)16-7-8-22-20-17(16)11-23-24(20)4/h5-8,10-11,13-14H,9,12H2,1-4H3/t14-/m1/s1.
What are the key properties of 4-[4-[(2R)-2,4-dimethylpentoxy]-3-fluorophenyl]-1-methylpyrazolo[3,4-b]pyridine?
4-[4-[(2R)-2,4-dimethylpentoxy]-3-fluorophenyl]-1-methylpyrazolo[3,4-b]pyridine has a molecular weight of 341.43 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2R)-2,4-dimethylpentoxy]-3-fluorophenyl]-1-methylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 145286257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).