6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

C12H16N4O4S — CID 123585094

IUPAC6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1cnn2cc(N(CCO)S(C)(=O)=O)ccc12
InChIInChI=1S/C12H16N4O4S/c1-13-12(18)10-7-14-15-8-9(3-4-11(10)15)16(5-6-17)21(2,19)20/h3-4,7-8,17H,5-6H2,1-2H3,(H,13,18)
InChIKeyLEQANLROLJSGGP-UHFFFAOYSA-N
MW312.35 g/mol
LogP-0.55
Rot. Bonds5

About 6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 123585094) has the molecular formula C12H16N4O4S and a molecular weight of 312.35 g/mol. Its IUPAC name is 6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID123585094
Molecular FormulaC12H16N4O4S
Molecular Weight312.35 g/mol
Exact Mass312.09
IUPAC Name6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1cnn2cc(N(CCO)S(C)(=O)=O)ccc12
InChIInChI=1S/C12H16N4O4S/c1-13-12(18)10-7-14-15-8-9(3-4-11(10)15)16(5-6-17)21(2,19)20/h3-4,7-8,17H,5-6H2,1-2H3,(H,13,18)
InChIKeyLEQANLROLJSGGP-UHFFFAOYSA-N
XLogP-0.55
TPSA104.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 123585094) is 6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is CNC(=O)c1cnn2cc(N(CCO)S(C)(=O)=O)ccc12.
What is the InChIKey of 6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is LEQANLROLJSGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4S/c1-13-12(18)10-7-14-15-8-9(3-4-11(10)15)16(5-6-17)21(2,19)20/h3-4,7-8,17H,5-6H2,1-2H3,(H,13,18).
What are the key properties of 6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 312.35 g/mol, XLogP of -0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 123585094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).