4-[4-fluoro-3-[(1-methyl-5-oxopyrrolidin-2-yl)methoxy]-5-sulfamoylthiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C20H22FN5O6S2 — CID 167434138

IUPAC4-[4-fluoro-3-[(1-methyl-5-oxopyrrolidin-2-yl)methoxy]-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)c(F)c3OCC3CCC(=O)N3C)cn(C)c(=O)c2[nH]1
InChIInChI=1S/C20H22FN5O6S2/c1-23-18(28)12-6-10-11(7-25(2)19(29)15(10)24-12)17-16(14(21)20(33-17)34(22,30)31)32-8-9-4-5-13(27)26(9)3/h6-7,9,24H,4-5,8H2,1-3H3,(H,23,28)(H2,22,30,31)
InChIKeySUUNXUNXVOPDSF-UHFFFAOYSA-N
MW511.56 g/mol
LogP0.74
Rot. Bonds6

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

4-[4-fluoro-3-[(1-methyl-5-oxopyrrolidin-2-yl)methoxy]-5-sulfamoylthiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 167434138) has the molecular formula C20H22FN5O6S2 and a molecular weight of 511.56 g/mol. Its IUPAC name is 4-[4-fluoro-3-[(1-methyl-5-oxopyrrolidin-2-yl)methoxy]-5-sulfamoylthiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-fluoro-3-[(1-methyl-5-oxopyrrolidin-2-yl)methoxy]-5-sulfamoylthiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID167434138
Molecular FormulaC20H22FN5O6S2
Molecular Weight511.56 g/mol
Exact Mass511.10
IUPAC Name4-[4-fluoro-3-[(1-methyl-5-oxopyrrolidin-2-yl)methoxy]-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)c(F)c3OCC3CCC(=O)N3C)cn(C)c(=O)c2[nH]1
InChIInChI=1S/C20H22FN5O6S2/c1-23-18(28)12-6-10-11(7-25(2)19(29)15(10)24-12)17-16(14(21)20(33-17)34(22,30)31)32-8-9-4-5-13(27)26(9)3/h6-7,9,24H,4-5,8H2,1-3H3,(H,23,28)(H2,22,30,31)
InChIKeySUUNXUNXVOPDSF-UHFFFAOYSA-N
XLogP0.74
TPSA156.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.56
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-3-[(1-methyl-5-oxopyrrolidin-2-yl)methoxy]-5-sulfamoylthiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-[4-fluoro-3-[(1-methyl-5-oxopyrrolidin-2-yl)methoxy]-5-sulfamoylthiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 167434138) is 4-[4-fluoro-3-[(1-methyl-5-oxopyrrolidin-2-yl)methoxy]-5-sulfamoylthiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-fluoro-3-[(1-methyl-5-oxopyrrolidin-2-yl)methoxy]-5-sulfamoylthiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-[4-fluoro-3-[(1-methyl-5-oxopyrrolidin-2-yl)methoxy]-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)c(F)c3OCC3CCC(=O)N3C)cn(C)c(=O)c2[nH]1.
What is the InChIKey of 4-[4-fluoro-3-[(1-methyl-5-oxopyrrolidin-2-yl)methoxy]-5-sulfamoylthiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is SUUNXUNXVOPDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O6S2/c1-23-18(28)12-6-10-11(7-25(2)19(29)15(10)24-12)17-16(14(21)20(33-17)34(22,30)31)32-8-9-4-5-13(27)26(9)3/h6-7,9,24H,4-5,8H2,1-3H3,(H,23,28)(H2,22,30,31).
What are the key properties of 4-[4-fluoro-3-[(1-methyl-5-oxopyrrolidin-2-yl)methoxy]-5-sulfamoylthiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
4-[4-fluoro-3-[(1-methyl-5-oxopyrrolidin-2-yl)methoxy]-5-sulfamoylthiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 511.56 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-3-[(1-methyl-5-oxopyrrolidin-2-yl)methoxy]-5-sulfamoylthiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 167434138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).