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

C20H20N6O3S — CID 71727679

IUPACN-[[4-(1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)n1cc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)cc2)cn1
InChIInChI=1S/C20H20N6O3S/c1-13(2)26-12-18(11-24-26)30(28,29)17-5-3-14(4-6-17)8-22-20(27)16-7-15-10-23-25-19(15)21-9-16/h3-7,9-13H,8H2,1-2H3,(H,22,27)(H,21,23,25)
InChIKeyLMEPCUIXJJHZLN-UHFFFAOYSA-N
MW424.49 g/mol
LogP2.50
Rot. Bonds6

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

N-[[4-(1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 71727679) has the molecular formula C20H20N6O3S and a molecular weight of 424.49 g/mol. Its IUPAC name is N-[[4-(1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID71727679
Molecular FormulaC20H20N6O3S
Molecular Weight424.49 g/mol
Exact Mass424.13
IUPAC NameN-[[4-(1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)n1cc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)cc2)cn1
InChIInChI=1S/C20H20N6O3S/c1-13(2)26-12-18(11-24-26)30(28,29)17-5-3-14(4-6-17)8-22-20(27)16-7-15-10-23-25-19(15)21-9-16/h3-7,9-13H,8H2,1-2H3,(H,22,27)(H,21,23,25)
InChIKeyLMEPCUIXJJHZLN-UHFFFAOYSA-N
XLogP2.50
TPSA122.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[[4-(1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 71727679) is N-[[4-(1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[[4-(1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[[4-(1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is CC(C)n1cc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)cc2)cn1.
What is the InChIKey of N-[[4-(1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is LMEPCUIXJJHZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3S/c1-13(2)26-12-18(11-24-26)30(28,29)17-5-3-14(4-6-17)8-22-20(27)16-7-15-10-23-25-19(15)21-9-16/h3-7,9-13H,8H2,1-2H3,(H,22,27)(H,21,23,25).
What are the key properties of N-[[4-(1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
N-[[4-(1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 424.49 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 71727679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).