2-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide

C13H18N4O3S — CID 51080497

IUPAC2-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
SMILESCC(C)n1ncc2cc(NC(=O)C(C)S(C)(=O)=O)cnc21
InChIInChI=1S/C13H18N4O3S/c1-8(2)17-12-10(6-15-17)5-11(7-14-12)16-13(18)9(3)21(4,19)20/h5-9H,1-4H3,(H,16,18)
InChIKeyHIZIAVMLDOJHSH-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.38
Rot. Bonds4

About 2-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide

2-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide (PubChem CID 51080497) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
PubChem CID51080497
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name2-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
SMILESCC(C)n1ncc2cc(NC(=O)C(C)S(C)(=O)=O)cnc21
InChIInChI=1S/C13H18N4O3S/c1-8(2)17-12-10(6-15-17)5-11(7-14-12)16-13(18)9(3)21(4,19)20/h5-9H,1-4H3,(H,16,18)
InChIKeyHIZIAVMLDOJHSH-UHFFFAOYSA-N
XLogP1.38
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide?
The IUPAC name of 2-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide (CID 51080497) is 2-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide.
What is the SMILES notation for 2-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide?
The canonical SMILES for 2-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide is CC(C)n1ncc2cc(NC(=O)C(C)S(C)(=O)=O)cnc21.
What is the InChIKey of 2-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide?
The InChIKey is HIZIAVMLDOJHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-8(2)17-12-10(6-15-17)5-11(7-14-12)16-13(18)9(3)21(4,19)20/h5-9H,1-4H3,(H,16,18).
What are the key properties of 2-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide?
2-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide has a molecular weight of 310.38 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 51080497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).