3-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide

C14H19N5O3S — CID 47910272

IUPAC3-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1[nH]nc2ncc(C(=O)NC3CCCN(S(C)(=O)=O)C3)cc12
InChIInChI=1S/C14H19N5O3S/c1-9-12-6-10(7-15-13(12)18-17-9)14(20)16-11-4-3-5-19(8-11)23(2,21)22/h6-7,11H,3-5,8H2,1-2H3,(H,16,20)(H,15,17,18)
InChIKeyUVWRSXFZVIRWLE-UHFFFAOYSA-N
MW337.41 g/mol
LogP0.42
Rot. Bonds3

About 3-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide

3-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 47910272) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is 3-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID47910272
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC Name3-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1[nH]nc2ncc(C(=O)NC3CCCN(S(C)(=O)=O)C3)cc12
InChIInChI=1S/C14H19N5O3S/c1-9-12-6-10(7-15-13(12)18-17-9)14(20)16-11-4-3-5-19(8-11)23(2,21)22/h6-7,11H,3-5,8H2,1-2H3,(H,16,20)(H,15,17,18)
InChIKeyUVWRSXFZVIRWLE-UHFFFAOYSA-N
XLogP0.42
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 3-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 47910272) is 3-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 3-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide is Cc1[nH]nc2ncc(C(=O)NC3CCCN(S(C)(=O)=O)C3)cc12.
What is the InChIKey of 3-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is UVWRSXFZVIRWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-9-12-6-10(7-15-13(12)18-17-9)14(20)16-11-4-3-5-19(8-11)23(2,21)22/h6-7,11H,3-5,8H2,1-2H3,(H,16,20)(H,15,17,18).
What are the key properties of 3-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
3-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 337.41 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 47910272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).