1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine

C24H25N5O2S — CID 127048821

IUPAC1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine
SMILESCc1ccc(N2CCC(n3ncc4cc(-c5ccc(S(C)(=O)=O)cc5)ncc43)CC2)nc1
InChIInChI=1S/C24H25N5O2S/c1-17-3-8-24(26-14-17)28-11-9-20(10-12-28)29-23-16-25-22(13-19(23)15-27-29)18-4-6-21(7-5-18)32(2,30)31/h3-8,13-16,20H,9-12H2,1-2H3
InChIKeySRDPZBANSLYYEB-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.05
Rot. Bonds4

About 1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine

1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine (PubChem CID 127048821) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is 1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine
PubChem CID127048821
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC Name1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine
SMILESCc1ccc(N2CCC(n3ncc4cc(-c5ccc(S(C)(=O)=O)cc5)ncc43)CC2)nc1
InChIInChI=1S/C24H25N5O2S/c1-17-3-8-24(26-14-17)28-11-9-20(10-12-28)29-23-16-25-22(13-19(23)15-27-29)18-4-6-21(7-5-18)32(2,30)31/h3-8,13-16,20H,9-12H2,1-2H3
InChIKeySRDPZBANSLYYEB-UHFFFAOYSA-N
XLogP4.05
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine?
The IUPAC name of 1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine (CID 127048821) is 1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine?
The canonical SMILES for 1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine is Cc1ccc(N2CCC(n3ncc4cc(-c5ccc(S(C)(=O)=O)cc5)ncc43)CC2)nc1.
What is the InChIKey of 1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine?
The InChIKey is SRDPZBANSLYYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-17-3-8-24(26-14-17)28-11-9-20(10-12-28)29-23-16-25-22(13-19(23)15-27-29)18-4-6-21(7-5-18)32(2,30)31/h3-8,13-16,20H,9-12H2,1-2H3.
What are the key properties of 1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine?
1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine has a molecular weight of 447.56 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 127048821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).