4-[3-[(4,6-dimethyl-2-pyridinyl)oxy]-5-sulfamoylthiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C21H21N5O5S2 — CID 167434052

IUPAC4-[3-[(4,6-dimethyl-2-pyridinyl)oxy]-5-sulfamoylthiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(-c3sc(S(N)(=O)=O)cc3Oc3cc(C)cc(C)n3)cn(C)c(=O)c2[nH]1
InChIInChI=1S/C21H21N5O5S2/c1-10-5-11(2)24-16(6-10)31-15-8-17(33(22,29)30)32-19(15)13-9-26(4)21(28)18-12(13)7-14(25-18)20(27)23-3/h5-9,25H,1-4H3,(H,23,27)(H2,22,29,30)
InChIKeyKNAREEVDODTXRZ-UHFFFAOYSA-N
MW487.56 g/mol
LogP2.41
Rot. Bonds5

About 4-[3-[(4,6-dimethyl-2-pyridinyl)oxy]-5-sulfamoylthiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

4-[3-[(4,6-dimethyl-2-pyridinyl)oxy]-5-sulfamoylthiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 167434052) has the molecular formula C21H21N5O5S2 and a molecular weight of 487.56 g/mol. Its IUPAC name is 4-[3-[(4,6-dimethyl-2-pyridinyl)oxy]-5-sulfamoylthiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-[(4,6-dimethyl-2-pyridinyl)oxy]-5-sulfamoylthiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID167434052
Molecular FormulaC21H21N5O5S2
Molecular Weight487.56 g/mol
Exact Mass487.10
IUPAC Name4-[3-[(4,6-dimethyl-2-pyridinyl)oxy]-5-sulfamoylthiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(-c3sc(S(N)(=O)=O)cc3Oc3cc(C)cc(C)n3)cn(C)c(=O)c2[nH]1
InChIInChI=1S/C21H21N5O5S2/c1-10-5-11(2)24-16(6-10)31-15-8-17(33(22,29)30)32-19(15)13-9-26(4)21(28)18-12(13)7-14(25-18)20(27)23-3/h5-9,25H,1-4H3,(H,23,27)(H2,22,29,30)
InChIKeyKNAREEVDODTXRZ-UHFFFAOYSA-N
XLogP2.41
TPSA149.17 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[3-[(4,6-dimethyl-2-pyridinyl)oxy]-5-sulfamoylthiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4,6-dimethyl-2-pyridinyl)oxy]-5-sulfamoylthiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-[3-[(4,6-dimethyl-2-pyridinyl)oxy]-5-sulfamoylthiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 167434052) is 4-[3-[(4,6-dimethyl-2-pyridinyl)oxy]-5-sulfamoylthiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-[3-[(4,6-dimethyl-2-pyridinyl)oxy]-5-sulfamoylthiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-[3-[(4,6-dimethyl-2-pyridinyl)oxy]-5-sulfamoylthiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is CNC(=O)c1cc2c(-c3sc(S(N)(=O)=O)cc3Oc3cc(C)cc(C)n3)cn(C)c(=O)c2[nH]1.
What is the InChIKey of 4-[3-[(4,6-dimethyl-2-pyridinyl)oxy]-5-sulfamoylthiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is KNAREEVDODTXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O5S2/c1-10-5-11(2)24-16(6-10)31-15-8-17(33(22,29)30)32-19(15)13-9-26(4)21(28)18-12(13)7-14(25-18)20(27)23-3/h5-9,25H,1-4H3,(H,23,27)(H2,22,29,30).
What are the key properties of 4-[3-[(4,6-dimethyl-2-pyridinyl)oxy]-5-sulfamoylthiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
4-[3-[(4,6-dimethyl-2-pyridinyl)oxy]-5-sulfamoylthiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 487.56 g/mol, XLogP of 2.41, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4,6-dimethyl-2-pyridinyl)oxy]-5-sulfamoylthiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 167434052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).