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

C68H67FN16O13S4 — CID 158599231

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

N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;N-[4-(3-fluoro-7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;methyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate;N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide (PubChem CID 158599231) has the molecular formula C68H67FN16O13S4 and a molecular weight of 1463.65 g/mol. Its IUPAC name is N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;N-[4-(3-fluoro-7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;methyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate;N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;N-[4-(3-fluoro-7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;methyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate;N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide
• PubChem CID: 158599231
• Molecular Formula: C68H67FN16O13S4
• Molecular Weight: 1463.65 g/mol
• Exact Mass: 1462.39
• IUPAC Name: N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;N-[4-(3-fluoro-7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;methyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate;N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide
• SMILES: CC(=O)Nc1cc(-c2cnc(C)c3c2c(F)cn3S(C)(=O)=O)ccn1.CC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(=O)(=O)C2CC2)ccn1.CC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(C)(=O)=O)ccn1.COC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(=O)(=O)C2CC2)ccn1
• InChI: InChI=1S/C18H18N4O4S.C18H18N4O3S.C16H15FN4O3S.C16H16N4O3S/c1-11-17-14(6-8-22(17)27(24,25)13-3-4-13)15(10-20-11)12-5-7-19-16(9-12)21-18(23)26-2;1-11-18-15(6-8-22(18)26(24,25)14-3-4-14)16(10-20-11)13-5-7-19-17(9-13)21-12(2)23;1-9-16-15(13(17)8-21(16)25(3,23)24)12(7-19-9)11-4-5-18-14(6-11)20-10(2)22;1-10-16-13(5-7-20(16)24(3,22)23)14(9-18-10)12-4-6-17-15(8-12)19-11(2)21/h5-10,13H,3-4H2,1-2H3,(H,19,21,23);5-10,14H,3-4H2,1-2H3,(H,19,21,23);4-8H,1-3H3,(H,18,20,22);4-9H,1-3H3,(H,17,19,21)
• InChIKey: HVKOGUSTCPXGTN-UHFFFAOYSA-N
• XLogP: 10.12
• TPSA: 385.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 14
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1463.65
LogP ≤ 5	10.12
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

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

The IUPAC name of N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;N-[4-(3-fluoro-7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;methyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate;N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide (CID 158599231) is N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;N-[4-(3-fluoro-7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;methyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate;N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide.

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

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

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

The InChIKey is HVKOGUSTCPXGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S.C18H18N4O3S.C16H15FN4O3S.C16H16N4O3S/c1-11-17-14(6-8-22(17)27(24,25)13-3-4-13)15(10-20-11)12-5-7-19-16(9-12)21-18(23)26-2;1-11-18-15(6-8-22(18)26(24,25)14-3-4-14)16(10-20-11)13-5-7-19-17(9-13)21-12(2)23;1-9-16-15(13(17)8-21(16)25(3,23)24)12(7-19-9)11-4-5-18-14(6-11)20-10(2)22;1-10-16-13(5-7-20(16)24(3,22)23)14(9-18-10)12-4-6-17-15(8-12)19-11(2)21/h5-10,13H,3-4H2,1-2H3,(H,19,21,23);5-10,14H,3-4H2,1-2H3,(H,19,21,23);4-8H,1-3H3,(H,18,20,22);4-9H,1-3H3,(H,17,19,21).

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

N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;N-[4-(3-fluoro-7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;methyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate;N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide has a molecular weight of 1463.65 g/mol, XLogP of 10.12, 14 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;N-[4-(3-fluoro-7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;methyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate;N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 158599231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).