N-(2-methylindazol-5-yl)-6-methylsulfonyl-4-oxo-5,7-dihydrofuro[2,3-c]pyridine-3-carboxamide

C17H16N4O5S — CID 118253013

IUPACN-(2-methylindazol-5-yl)-6-methylsulfonyl-4-oxo-5,7-dihydrofuro[2,3-c]pyridine-3-carboxamide
SMILESCn1cc2cc(NC(=O)c3coc4c3C(=O)CN(S(C)(=O)=O)C4)ccc2n1
InChIInChI=1S/C17H16N4O5S/c1-20-6-10-5-11(3-4-13(10)19-20)18-17(23)12-9-26-15-8-21(27(2,24)25)7-14(22)16(12)15/h3-6,9H,7-8H2,1-2H3,(H,18,23)
InChIKeyYOCUDSXSIPVXJF-UHFFFAOYSA-N
MW388.41 g/mol
LogP1.38
Rot. Bonds3

About N-(2-methylindazol-5-yl)-6-methylsulfonyl-4-oxo-5,7-dihydrofuro[2,3-c]pyridine-3-carboxamide

N-(2-methylindazol-5-yl)-6-methylsulfonyl-4-oxo-5,7-dihydrofuro[2,3-c]pyridine-3-carboxamide (PubChem CID 118253013) has the molecular formula C17H16N4O5S and a molecular weight of 388.41 g/mol. Its IUPAC name is N-(2-methylindazol-5-yl)-6-methylsulfonyl-4-oxo-5,7-dihydrofuro[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylindazol-5-yl)-6-methylsulfonyl-4-oxo-5,7-dihydrofuro[2,3-c]pyridine-3-carboxamide
PubChem CID118253013
Molecular FormulaC17H16N4O5S
Molecular Weight388.41 g/mol
Exact Mass388.08
IUPAC NameN-(2-methylindazol-5-yl)-6-methylsulfonyl-4-oxo-5,7-dihydrofuro[2,3-c]pyridine-3-carboxamide
SMILESCn1cc2cc(NC(=O)c3coc4c3C(=O)CN(S(C)(=O)=O)C4)ccc2n1
InChIInChI=1S/C17H16N4O5S/c1-20-6-10-5-11(3-4-13(10)19-20)18-17(23)12-9-26-15-8-21(27(2,24)25)7-14(22)16(12)15/h3-6,9H,7-8H2,1-2H3,(H,18,23)
InChIKeyYOCUDSXSIPVXJF-UHFFFAOYSA-N
XLogP1.38
TPSA114.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylindazol-5-yl)-6-methylsulfonyl-4-oxo-5,7-dihydrofuro[2,3-c]pyridine-3-carboxamide?
The IUPAC name of N-(2-methylindazol-5-yl)-6-methylsulfonyl-4-oxo-5,7-dihydrofuro[2,3-c]pyridine-3-carboxamide (CID 118253013) is N-(2-methylindazol-5-yl)-6-methylsulfonyl-4-oxo-5,7-dihydrofuro[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methylindazol-5-yl)-6-methylsulfonyl-4-oxo-5,7-dihydrofuro[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-(2-methylindazol-5-yl)-6-methylsulfonyl-4-oxo-5,7-dihydrofuro[2,3-c]pyridine-3-carboxamide is Cn1cc2cc(NC(=O)c3coc4c3C(=O)CN(S(C)(=O)=O)C4)ccc2n1.
What is the InChIKey of N-(2-methylindazol-5-yl)-6-methylsulfonyl-4-oxo-5,7-dihydrofuro[2,3-c]pyridine-3-carboxamide?
The InChIKey is YOCUDSXSIPVXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O5S/c1-20-6-10-5-11(3-4-13(10)19-20)18-17(23)12-9-26-15-8-21(27(2,24)25)7-14(22)16(12)15/h3-6,9H,7-8H2,1-2H3,(H,18,23).
What are the key properties of N-(2-methylindazol-5-yl)-6-methylsulfonyl-4-oxo-5,7-dihydrofuro[2,3-c]pyridine-3-carboxamide?
N-(2-methylindazol-5-yl)-6-methylsulfonyl-4-oxo-5,7-dihydrofuro[2,3-c]pyridine-3-carboxamide has a molecular weight of 388.41 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylindazol-5-yl)-6-methylsulfonyl-4-oxo-5,7-dihydrofuro[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 118253013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).