4-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]-1H-pyrazolo[3,4-b]pyridine;methanamine

C20H27FN4O — CID 145286303

IUPAC4-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]-1H-pyrazolo[3,4-b]pyridine;methanamine
SMILESCC(C)CC(C)COc1ccc(-c2ccnc3[nH]ncc23)cc1F.CN
InChIInChI=1S/C19H22FN3O.CH5N/c1-12(2)8-13(3)11-24-18-5-4-14(9-17(18)20)15-6-7-21-19-16(15)10-22-23-19;1-2/h4-7,9-10,12-13H,8,11H2,1-3H3,(H,21,22,23);2H2,1H3
InChIKeyDBYALDAVSCEAII-UHFFFAOYSA-N
MW358.46 g/mol
LogP4.40
Rot. Bonds6

About 4-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]-1H-pyrazolo[3,4-b]pyridine;methanamine

4-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]-1H-pyrazolo[3,4-b]pyridine;methanamine (PubChem CID 145286303) has the molecular formula C20H27FN4O and a molecular weight of 358.46 g/mol. Its IUPAC name is 4-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]-1H-pyrazolo[3,4-b]pyridine;methanamine.

Molecular Properties

Compound Name4-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]-1H-pyrazolo[3,4-b]pyridine;methanamine
PubChem CID145286303
Molecular FormulaC20H27FN4O
Molecular Weight358.46 g/mol
Exact Mass358.22
IUPAC Name4-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]-1H-pyrazolo[3,4-b]pyridine;methanamine
SMILESCC(C)CC(C)COc1ccc(-c2ccnc3[nH]ncc23)cc1F.CN
InChIInChI=1S/C19H22FN3O.CH5N/c1-12(2)8-13(3)11-24-18-5-4-14(9-17(18)20)15-6-7-21-19-16(15)10-22-23-19;1-2/h4-7,9-10,12-13H,8,11H2,1-3H3,(H,21,22,23);2H2,1H3
InChIKeyDBYALDAVSCEAII-UHFFFAOYSA-N
XLogP4.40
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]-1H-pyrazolo[3,4-b]pyridine;methanamine?
The IUPAC name of 4-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]-1H-pyrazolo[3,4-b]pyridine;methanamine (CID 145286303) is 4-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]-1H-pyrazolo[3,4-b]pyridine;methanamine.
What is the SMILES notation for 4-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]-1H-pyrazolo[3,4-b]pyridine;methanamine?
The canonical SMILES for 4-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]-1H-pyrazolo[3,4-b]pyridine;methanamine is CC(C)CC(C)COc1ccc(-c2ccnc3[nH]ncc23)cc1F.CN.
What is the InChIKey of 4-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]-1H-pyrazolo[3,4-b]pyridine;methanamine?
The InChIKey is DBYALDAVSCEAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O.CH5N/c1-12(2)8-13(3)11-24-18-5-4-14(9-17(18)20)15-6-7-21-19-16(15)10-22-23-19;1-2/h4-7,9-10,12-13H,8,11H2,1-3H3,(H,21,22,23);2H2,1H3.
What are the key properties of 4-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]-1H-pyrazolo[3,4-b]pyridine;methanamine?
4-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]-1H-pyrazolo[3,4-b]pyridine;methanamine has a molecular weight of 358.46 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]-1H-pyrazolo[3,4-b]pyridine;methanamine is sourced from PubChem (CID 145286303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).