1,3,6-trimethyl-N-(3-piperidin-1-ylsulfonylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide

C21H25N5O3S — CID 16620957

IUPAC1,3,6-trimethyl-N-(3-piperidin-1-ylsulfonylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c2c(C)nn(C)c2n1
InChIInChI=1S/C21H25N5O3S/c1-14-12-18(19-15(2)24-25(3)20(19)22-14)21(27)23-16-8-7-9-17(13-16)30(28,29)26-10-5-4-6-11-26/h7-9,12-13H,4-6,10-11H2,1-3H3,(H,23,27)
InChIKeyOREWLEXSOQQVJT-UHFFFAOYSA-N
MW427.53 g/mol
LogP3.01
Rot. Bonds4

About 1,3,6-trimethyl-N-(3-piperidin-1-ylsulfonylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide

1,3,6-trimethyl-N-(3-piperidin-1-ylsulfonylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 16620957) has the molecular formula C21H25N5O3S and a molecular weight of 427.53 g/mol. Its IUPAC name is 1,3,6-trimethyl-N-(3-piperidin-1-ylsulfonylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1,3,6-trimethyl-N-(3-piperidin-1-ylsulfonylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID16620957
Molecular FormulaC21H25N5O3S
Molecular Weight427.53 g/mol
Exact Mass427.17
IUPAC Name1,3,6-trimethyl-N-(3-piperidin-1-ylsulfonylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c2c(C)nn(C)c2n1
InChIInChI=1S/C21H25N5O3S/c1-14-12-18(19-15(2)24-25(3)20(19)22-14)21(27)23-16-8-7-9-17(13-16)30(28,29)26-10-5-4-6-11-26/h7-9,12-13H,4-6,10-11H2,1-3H3,(H,23,27)
InChIKeyOREWLEXSOQQVJT-UHFFFAOYSA-N
XLogP3.01
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-6-propan-2-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 25469310
1,3,5-trimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide
CID 17434709
N-(3-iodophenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621285
1,3-dimethyl-N-(3-methylsulfonylphenyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 33158849
N-(4-carbamoyl-3-piperidin-1-ylphenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 86946840
2-methyl-6-phenyl-N-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
CID 27006276
N-[3-(diethylcarbamoyl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 38045945
1,3,6-trimethyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 16609454
N-(3-piperidin-1-ylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78879336
N-[3-(benzenesulfonamido)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55721310
N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 33038542
3-(azepan-1-ylsulfonyl)-N-(3-methylsulfonylphenyl)benzamide
CID 26722877

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-N-(3-piperidin-1-ylsulfonylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 1,3,6-trimethyl-N-(3-piperidin-1-ylsulfonylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide (CID 16620957) is 1,3,6-trimethyl-N-(3-piperidin-1-ylsulfonylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1,3,6-trimethyl-N-(3-piperidin-1-ylsulfonylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1,3,6-trimethyl-N-(3-piperidin-1-ylsulfonylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c2c(C)nn(C)c2n1.
What is the InChIKey of 1,3,6-trimethyl-N-(3-piperidin-1-ylsulfonylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is OREWLEXSOQQVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3S/c1-14-12-18(19-15(2)24-25(3)20(19)22-14)21(27)23-16-8-7-9-17(13-16)30(28,29)26-10-5-4-6-11-26/h7-9,12-13H,4-6,10-11H2,1-3H3,(H,23,27).
What are the key properties of 1,3,6-trimethyl-N-(3-piperidin-1-ylsulfonylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
1,3,6-trimethyl-N-(3-piperidin-1-ylsulfonylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 427.53 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-N-(3-piperidin-1-ylsulfonylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 16620957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).