N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-5-fluoro-2-pyridinyl]acetamide;N-[4-(3,7-dimethyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;N-[4-[1-(dimethylsulfamoyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;methyl N-[4-[1-(dimethylsulfamoyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate

C68H71FN18O13S4 — CID 159457187

About N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-5-fluoro-2-pyridinyl]acetamide;N-[4-(3,7-dimethyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;N-[4-[1-(dimethylsulfamoyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;methyl N-[4-[1-(dimethylsulfamoyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate

N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-5-fluoro-2-pyridinyl]acetamide;N-[4-(3,7-dimethyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;N-[4-[1-(dimethylsulfamoyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;methyl N-[4-[1-(dimethylsulfamoyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate (PubChem CID 159457187) has the molecular formula C68H71FN18O13S4 and a molecular weight of 1495.69 g/mol. Its IUPAC name is N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-5-fluoro-2-pyridinyl]acetamide;N-[4-(3,7-dimethyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;N-[4-[1-(dimethylsulfamoyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;methyl N-[4-[1-(dimethylsulfamoyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate.

Molecular Properties

• Compound Name: N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-5-fluoro-2-pyridinyl]acetamide;N-[4-(3,7-dimethyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;N-[4-[1-(dimethylsulfamoyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;methyl N-[4-[1-(dimethylsulfamoyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate
• PubChem CID: 159457187
• Molecular Formula: C68H71FN18O13S4
• Molecular Weight: 1495.69 g/mol
• Exact Mass: 1494.43
• IUPAC Name: N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-5-fluoro-2-pyridinyl]acetamide;N-[4-(3,7-dimethyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;N-[4-[1-(dimethylsulfamoyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;methyl N-[4-[1-(dimethylsulfamoyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate
• SMILES: CC(=O)Nc1cc(-c2cnc(C)c3c2c(C)cn3S(C)(=O)=O)ccn1.CC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(=O)(=O)N(C)C)ccn1.CC(=O)Nc1cc(-c2cncc3c2ccn3S(=O)(=O)C2CC2)c(F)cn1.COC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(=O)(=O)N(C)C)ccn1
• InChI: InChI=1S/C17H15FN4O3S.C17H19N5O4S.C17H19N5O3S.C17H18N4O3S/c1-10(23)21-17-6-13(15(18)8-20-17)14-7-19-9-16-12(14)4-5-22(16)26(24,25)11-2-3-11;1-11-16-13(6-8-22(16)27(24,25)21(2)3)14(10-19-11)12-5-7-18-15(9-12)20-17(23)26-4;1-11-17-14(6-8-22(17)26(24,25)21(3)4)15(10-19-11)13-5-7-18-16(9-13)20-12(2)23;1-10-9-21(25(4,23)24)17-11(2)19-8-14(16(10)17)13-5-6-18-15(7-13)20-12(3)22/h4-9,11H,2-3H2,1H3,(H,20,21,23);5-10H,1-4H3,(H,18,20,23);5-10H,1-4H3,(H,18,20,23);5-9H,1-4H3,(H,18,20,22)
• InChIKey: LUCZEKZWNDVWEV-UHFFFAOYSA-N
• XLogP: 9.28
• TPSA: 391.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 15
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1495.69
LogP ≤ 5	9.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-5-fluoro-2-pyridinyl]acetamide;N-[4-(3,7-dimethyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;N-[4-[1-(dimethylsulfamoyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;methyl N-[4-[1-(dimethylsulfamoyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate?

The IUPAC name of N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-5-fluoro-2-pyridinyl]acetamide;N-[4-(3,7-dimethyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;N-[4-[1-(dimethylsulfamoyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;methyl N-[4-[1-(dimethylsulfamoyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate (CID 159457187) is N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-5-fluoro-2-pyridinyl]acetamide;N-[4-(3,7-dimethyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;N-[4-[1-(dimethylsulfamoyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;methyl N-[4-[1-(dimethylsulfamoyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate.

What is the SMILES notation for N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-5-fluoro-2-pyridinyl]acetamide;N-[4-(3,7-dimethyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;N-[4-[1-(dimethylsulfamoyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;methyl N-[4-[1-(dimethylsulfamoyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate?

The canonical SMILES for N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-5-fluoro-2-pyridinyl]acetamide;N-[4-(3,7-dimethyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;N-[4-[1-(dimethylsulfamoyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;methyl N-[4-[1-(dimethylsulfamoyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate is CC(=O)Nc1cc(-c2cnc(C)c3c2c(C)cn3S(C)(=O)=O)ccn1.CC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(=O)(=O)N(C)C)ccn1.CC(=O)Nc1cc(-c2cncc3c2ccn3S(=O)(=O)C2CC2)c(F)cn1.COC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(=O)(=O)N(C)C)ccn1.

What is the InChIKey of N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-5-fluoro-2-pyridinyl]acetamide;N-[4-(3,7-dimethyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;N-[4-[1-(dimethylsulfamoyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;methyl N-[4-[1-(dimethylsulfamoyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate?

The InChIKey is LUCZEKZWNDVWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3S.C17H19N5O4S.C17H19N5O3S.C17H18N4O3S/c1-10(23)21-17-6-13(15(18)8-20-17)14-7-19-9-16-12(14)4-5-22(16)26(24,25)11-2-3-11;1-11-16-13(6-8-22(16)27(24,25)21(2)3)14(10-19-11)12-5-7-18-15(9-12)20-17(23)26-4;1-11-17-14(6-8-22(17)26(24,25)21(3)4)15(10-19-11)13-5-7-18-16(9-13)20-12(2)23;1-10-9-21(25(4,23)24)17-11(2)19-8-14(16(10)17)13-5-6-18-15(7-13)20-12(3)22/h4-9,11H,2-3H2,1H3,(H,20,21,23);5-10H,1-4H3,(H,18,20,23);5-10H,1-4H3,(H,18,20,23);5-9H,1-4H3,(H,18,20,22).

What are the key properties of N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-5-fluoro-2-pyridinyl]acetamide;N-[4-(3,7-dimethyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;N-[4-[1-(dimethylsulfamoyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;methyl N-[4-[1-(dimethylsulfamoyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate?

N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-5-fluoro-2-pyridinyl]acetamide;N-[4-(3,7-dimethyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;N-[4-[1-(dimethylsulfamoyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;methyl N-[4-[1-(dimethylsulfamoyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate has a molecular weight of 1495.69 g/mol, XLogP of 9.28, 15 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-5-fluoro-2-pyridinyl]acetamide;N-[4-(3,7-dimethyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;N-[4-[1-(dimethylsulfamoyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;methyl N-[4-[1-(dimethylsulfamoyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate is sourced from PubChem (CID 159457187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).