1-[1-(3-methylbutyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine

C23H30N4O2S — CID 127048822

IUPAC1-[1-(3-methylbutyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine
SMILESCC(C)CCN1CCC(n2ncc3cc(-c4ccc(S(C)(=O)=O)cc4)ncc32)CC1
InChIInChI=1S/C23H30N4O2S/c1-17(2)8-11-26-12-9-20(10-13-26)27-23-16-24-22(14-19(23)15-25-27)18-4-6-21(7-5-18)30(3,28)29/h4-7,14-17,20H,8-13H2,1-3H3
InChIKeyKFFGTIVWYFOZEZ-UHFFFAOYSA-N
MW426.59 g/mol
LogP4.18
Rot. Bonds6

About 1-[1-(3-methylbutyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine

1-[1-(3-methylbutyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine (PubChem CID 127048822) has the molecular formula C23H30N4O2S and a molecular weight of 426.59 g/mol. Its IUPAC name is 1-[1-(3-methylbutyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name1-[1-(3-methylbutyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine
PubChem CID127048822
Molecular FormulaC23H30N4O2S
Molecular Weight426.59 g/mol
Exact Mass426.21
IUPAC Name1-[1-(3-methylbutyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine
SMILESCC(C)CCN1CCC(n2ncc3cc(-c4ccc(S(C)(=O)=O)cc4)ncc32)CC1
InChIInChI=1S/C23H30N4O2S/c1-17(2)8-11-26-12-9-20(10-13-26)27-23-16-24-22(14-19(23)15-25-27)18-4-6-21(7-5-18)30(3,28)29/h4-7,14-17,20H,8-13H2,1-3H3
InChIKeyKFFGTIVWYFOZEZ-UHFFFAOYSA-N
XLogP4.18
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylbutyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine?
The IUPAC name of 1-[1-(3-methylbutyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine (CID 127048822) is 1-[1-(3-methylbutyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 1-[1-(3-methylbutyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine?
The canonical SMILES for 1-[1-(3-methylbutyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine is CC(C)CCN1CCC(n2ncc3cc(-c4ccc(S(C)(=O)=O)cc4)ncc32)CC1.
What is the InChIKey of 1-[1-(3-methylbutyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine?
The InChIKey is KFFGTIVWYFOZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2S/c1-17(2)8-11-26-12-9-20(10-13-26)27-23-16-24-22(14-19(23)15-25-27)18-4-6-21(7-5-18)30(3,28)29/h4-7,14-17,20H,8-13H2,1-3H3.
What are the key properties of 1-[1-(3-methylbutyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine?
1-[1-(3-methylbutyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine has a molecular weight of 426.59 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methylbutyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 127048822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).