N-[4-[1-cyclopropylsulfonyl-7-(dimethylamino)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(1-ethylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;methyl N-[4-[7-methyl-1-(2-methylpropylsulfonyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methyl N-[4-(1-propan-2-ylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate

C72H79N17O14S4 — CID 160724039

About N-[4-[1-cyclopropylsulfonyl-7-(dimethylamino)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(1-ethylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;methyl N-[4-[7-methyl-1-(2-methylpropylsulfonyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methyl N-[4-(1-propan-2-ylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate

N-[4-[1-cyclopropylsulfonyl-7-(dimethylamino)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(1-ethylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;methyl N-[4-[7-methyl-1-(2-methylpropylsulfonyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methyl N-[4-(1-propan-2-ylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate (PubChem CID 160724039) has the molecular formula C72H79N17O14S4 and a molecular weight of 1534.80 g/mol. Its IUPAC name is N-[4-[1-cyclopropylsulfonyl-7-(dimethylamino)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(1-ethylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;methyl N-[4-[7-methyl-1-(2-methylpropylsulfonyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methyl N-[4-(1-propan-2-ylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate.

Molecular Properties

• Compound Name: N-[4-[1-cyclopropylsulfonyl-7-(dimethylamino)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(1-ethylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;methyl N-[4-[7-methyl-1-(2-methylpropylsulfonyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methyl N-[4-(1-propan-2-ylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate
• PubChem CID: 160724039
• Molecular Formula: C72H79N17O14S4
• Molecular Weight: 1534.80 g/mol
• Exact Mass: 1533.49
• IUPAC Name: N-[4-[1-cyclopropylsulfonyl-7-(dimethylamino)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(1-ethylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;methyl N-[4-[7-methyl-1-(2-methylpropylsulfonyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methyl N-[4-(1-propan-2-ylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate
• SMILES: CC(=O)Nc1cc(-c2cnc(N(C)C)c3c2ccn3S(=O)(=O)C2CC2)ccn1.CCS(=O)(=O)n1ccc2c(-c3ccnc(NC(C)=O)c3)cnc(C)c21.COC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(=O)(=O)CC(C)C)ccn1.COC(=O)Nc1cc(-c2cncc3c2ccn3S(=O)(=O)C(C)C)ccn1
• InChI: InChI=1S/C19H21N5O3S.C19H22N4O4S.C17H18N4O4S.C17H18N4O3S/c1-12(25)22-17-10-13(6-8-20-17)16-11-21-19(23(2)3)18-15(16)7-9-24(18)28(26,27)14-4-5-14;1-12(2)11-28(25,26)23-8-6-15-16(10-21-13(3)18(15)23)14-5-7-20-17(9-14)22-19(24)27-4;1-11(2)26(23,24)21-7-5-13-14(9-18-10-15(13)21)12-4-6-19-16(8-12)20-17(22)25-3;1-4-25(23,24)21-8-6-14-15(10-19-11(2)17(14)21)13-5-7-18-16(9-13)20-12(3)22/h6-11,14H,4-5H2,1-3H3,(H,20,22,25);5-10,12H,11H2,1-4H3,(H,20,22,24);4-11H,1-3H3,(H,19,20,22);5-10H,4H2,1-3H3,(H,18,20,22)
• InChIKey: RTLVYAQVYSAKLF-UHFFFAOYSA-N
• XLogP: 11.31
• TPSA: 397.50 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1534.80
LogP ≤ 5	11.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-cyclopropylsulfonyl-7-(dimethylamino)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(1-ethylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;methyl N-[4-[7-methyl-1-(2-methylpropylsulfonyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methyl N-[4-(1-propan-2-ylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate?

The IUPAC name of N-[4-[1-cyclopropylsulfonyl-7-(dimethylamino)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(1-ethylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;methyl N-[4-[7-methyl-1-(2-methylpropylsulfonyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methyl N-[4-(1-propan-2-ylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate (CID 160724039) is N-[4-[1-cyclopropylsulfonyl-7-(dimethylamino)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(1-ethylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;methyl N-[4-[7-methyl-1-(2-methylpropylsulfonyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methyl N-[4-(1-propan-2-ylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate.

What is the SMILES notation for N-[4-[1-cyclopropylsulfonyl-7-(dimethylamino)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(1-ethylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;methyl N-[4-[7-methyl-1-(2-methylpropylsulfonyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methyl N-[4-(1-propan-2-ylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate?

The canonical SMILES for N-[4-[1-cyclopropylsulfonyl-7-(dimethylamino)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(1-ethylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;methyl N-[4-[7-methyl-1-(2-methylpropylsulfonyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methyl N-[4-(1-propan-2-ylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate is CC(=O)Nc1cc(-c2cnc(N(C)C)c3c2ccn3S(=O)(=O)C2CC2)ccn1.CCS(=O)(=O)n1ccc2c(-c3ccnc(NC(C)=O)c3)cnc(C)c21.COC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(=O)(=O)CC(C)C)ccn1.COC(=O)Nc1cc(-c2cncc3c2ccn3S(=O)(=O)C(C)C)ccn1.

What is the InChIKey of N-[4-[1-cyclopropylsulfonyl-7-(dimethylamino)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(1-ethylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;methyl N-[4-[7-methyl-1-(2-methylpropylsulfonyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methyl N-[4-(1-propan-2-ylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate?

The InChIKey is RTLVYAQVYSAKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S.C19H22N4O4S.C17H18N4O4S.C17H18N4O3S/c1-12(25)22-17-10-13(6-8-20-17)16-11-21-19(23(2)3)18-15(16)7-9-24(18)28(26,27)14-4-5-14;1-12(2)11-28(25,26)23-8-6-15-16(10-21-13(3)18(15)23)14-5-7-20-17(9-14)22-19(24)27-4;1-11(2)26(23,24)21-7-5-13-14(9-18-10-15(13)21)12-4-6-19-16(8-12)20-17(22)25-3;1-4-25(23,24)21-8-6-14-15(10-19-11(2)17(14)21)13-5-7-18-16(9-13)20-12(3)22/h6-11,14H,4-5H2,1-3H3,(H,20,22,25);5-10,12H,11H2,1-4H3,(H,20,22,24);4-11H,1-3H3,(H,19,20,22);5-10H,4H2,1-3H3,(H,18,20,22).

What are the key properties of N-[4-[1-cyclopropylsulfonyl-7-(dimethylamino)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(1-ethylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;methyl N-[4-[7-methyl-1-(2-methylpropylsulfonyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methyl N-[4-(1-propan-2-ylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate?

N-[4-[1-cyclopropylsulfonyl-7-(dimethylamino)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(1-ethylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;methyl N-[4-[7-methyl-1-(2-methylpropylsulfonyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methyl N-[4-(1-propan-2-ylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate has a molecular weight of 1534.80 g/mol, XLogP of 11.31, 18 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[1-cyclopropylsulfonyl-7-(dimethylamino)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(1-ethylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;methyl N-[4-[7-methyl-1-(2-methylpropylsulfonyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methyl N-[4-(1-propan-2-ylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate is sourced from PubChem (CID 160724039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).