5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide

C17H18N4O5S — CID 71621851

IUPAC5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide
SMILESCn1cc(-c2cc(S(N)(=O)=O)cnc2OC2CCOC2)c2cc[nH]c2c1=O
InChIInChI=1S/C17H18N4O5S/c1-21-8-14(12-2-4-19-15(12)17(21)22)13-6-11(27(18,23)24)7-20-16(13)26-10-3-5-25-9-10/h2,4,6-8,10,19H,3,5,9H2,1H3,(H2,18,23,24)
InChIKeyNFHNPMIGVNUEGG-UHFFFAOYSA-N
MW390.42 g/mol
LogP0.74
Rot. Bonds4

About 5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide

5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide (PubChem CID 71621851) has the molecular formula C17H18N4O5S and a molecular weight of 390.42 g/mol. Its IUPAC name is 5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide
PubChem CID71621851
Molecular FormulaC17H18N4O5S
Molecular Weight390.42 g/mol
Exact Mass390.10
IUPAC Name5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide
SMILESCn1cc(-c2cc(S(N)(=O)=O)cnc2OC2CCOC2)c2cc[nH]c2c1=O
InChIInChI=1S/C17H18N4O5S/c1-21-8-14(12-2-4-19-15(12)17(21)22)13-6-11(27(18,23)24)7-20-16(13)26-10-3-5-25-9-10/h2,4,6-8,10,19H,3,5,9H2,1H3,(H2,18,23,24)
InChIKeyNFHNPMIGVNUEGG-UHFFFAOYSA-N
XLogP0.74
TPSA129.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide?
The IUPAC name of 5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide (CID 71621851) is 5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide.
What is the SMILES notation for 5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide?
The canonical SMILES for 5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide is Cn1cc(-c2cc(S(N)(=O)=O)cnc2OC2CCOC2)c2cc[nH]c2c1=O.
What is the InChIKey of 5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide?
The InChIKey is NFHNPMIGVNUEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O5S/c1-21-8-14(12-2-4-19-15(12)17(21)22)13-6-11(27(18,23)24)7-20-16(13)26-10-3-5-25-9-10/h2,4,6-8,10,19H,3,5,9H2,1H3,(H2,18,23,24).
What are the key properties of 5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide?
5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide has a molecular weight of 390.42 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-(oxolan-3-yloxy)pyridine-3-sulfonamide is sourced from PubChem (CID 71621851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).