1-methyl-4-(4-methylsulfonylphenyl)-N-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide

C18H20N4O3S — CID 118740472

IUPAC1-methyl-4-(4-methylsulfonylphenyl)-N-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCC(C)NC(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)c2cnn(C)c2n1
InChIInChI=1S/C18H20N4O3S/c1-11(2)20-18(23)16-9-14(15-10-19-22(3)17(15)21-16)12-5-7-13(8-6-12)26(4,24)25/h5-11H,1-4H3,(H,20,23)
InChIKeyWMDCSYKNKNFQSJ-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.18
Rot. Bonds4

About 1-methyl-4-(4-methylsulfonylphenyl)-N-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide

1-methyl-4-(4-methylsulfonylphenyl)-N-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 118740472) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 1-methyl-4-(4-methylsulfonylphenyl)-N-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-methyl-4-(4-methylsulfonylphenyl)-N-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide
PubChem CID118740472
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name1-methyl-4-(4-methylsulfonylphenyl)-N-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCC(C)NC(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)c2cnn(C)c2n1
InChIInChI=1S/C18H20N4O3S/c1-11(2)20-18(23)16-9-14(15-10-19-22(3)17(15)21-16)12-5-7-13(8-6-12)26(4,24)25/h5-11H,1-4H3,(H,20,23)
InChIKeyWMDCSYKNKNFQSJ-UHFFFAOYSA-N
XLogP2.18
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylsulfonylphenyl)-N-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of 1-methyl-4-(4-methylsulfonylphenyl)-N-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide (CID 118740472) is 1-methyl-4-(4-methylsulfonylphenyl)-N-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for 1-methyl-4-(4-methylsulfonylphenyl)-N-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for 1-methyl-4-(4-methylsulfonylphenyl)-N-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide is CC(C)NC(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)c2cnn(C)c2n1.
What is the InChIKey of 1-methyl-4-(4-methylsulfonylphenyl)-N-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is WMDCSYKNKNFQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-11(2)20-18(23)16-9-14(15-10-19-22(3)17(15)21-16)12-5-7-13(8-6-12)26(4,24)25/h5-11H,1-4H3,(H,20,23).
What are the key properties of 1-methyl-4-(4-methylsulfonylphenyl)-N-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide?
1-methyl-4-(4-methylsulfonylphenyl)-N-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylsulfonylphenyl)-N-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 118740472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).