N-[4-[7-(aminomethyl)-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;ethyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate;1-[4-(7-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]propan-2-one

C73H70N16O11S3 — CID 159348049

About N-[4-[7-(aminomethyl)-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;ethyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate;1-[4-(7-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]propan-2-one

N-[4-[7-(aminomethyl)-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;ethyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate;1-[4-(7-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]propan-2-one (PubChem CID 159348049) has the molecular formula C73H70N16O11S3 and a molecular weight of 1443.66 g/mol. Its IUPAC name is N-[4-[7-(aminomethyl)-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;ethyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate;1-[4-(7-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]propan-2-one.

Molecular Properties

• Compound Name: N-[4-[7-(aminomethyl)-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;ethyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate;1-[4-(7-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]propan-2-one
• PubChem CID: 159348049
• Molecular Formula: C73H70N16O11S3
• Molecular Weight: 1443.66 g/mol
• Exact Mass: 1442.46
• IUPAC Name: N-[4-[7-(aminomethyl)-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;ethyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate;1-[4-(7-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]propan-2-one
• SMILES: CC(=O)Cc1cc(-c2cnc(C)c3[nH]ccc23)ccn1.CC(=O)Nc1cc(-c2cnc(CN)c3c2ccn3S(=O)(=O)C2CC2)ccn1.CC(=O)Nc1cc(-c2cncc3c2ccn3S(=O)(=O)c2ccccc2)ccn1.CCOC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(=O)(=O)C2CC2)ccn1
• InChI: InChI=1S/C20H16N4O3S.C19H20N4O4S.C18H19N5O3S.C16H15N3O/c1-14(25)23-20-11-15(7-9-22-20)18-12-21-13-19-17(18)8-10-24(19)28(26,27)16-5-3-2-4-6-16;1-3-27-19(24)22-17-10-13(6-8-20-17)16-11-21-12(2)18-15(16)7-9-23(18)28(25,26)14-4-5-14;1-11(24)22-17-8-12(4-6-20-17)15-10-21-16(9-19)18-14(15)5-7-23(18)27(25,26)13-2-3-13;1-10(20)7-13-8-12(3-5-17-13)15-9-19-11(2)16-14(15)4-6-18-16/h2-13H,1H3,(H,22,23,25);6-11,14H,3-5H2,1-2H3,(H,20,22,24);4-8,10,13H,2-3,9,19H2,1H3,(H,20,22,24);3-6,8-9,18H,7H2,1-2H3
• InChIKey: LGYYXQNJRXCPJO-UHFFFAOYSA-N
• XLogP: 11.53
• TPSA: 375.74 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 17
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1443.66
LogP ≤ 5	11.53
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-(aminomethyl)-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;ethyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate;1-[4-(7-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]propan-2-one?

The IUPAC name of N-[4-[7-(aminomethyl)-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;ethyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate;1-[4-(7-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]propan-2-one (CID 159348049) is N-[4-[7-(aminomethyl)-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;ethyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate;1-[4-(7-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]propan-2-one.

What is the SMILES notation for N-[4-[7-(aminomethyl)-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;ethyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate;1-[4-(7-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]propan-2-one?

The canonical SMILES for N-[4-[7-(aminomethyl)-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;ethyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate;1-[4-(7-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]propan-2-one is CC(=O)Cc1cc(-c2cnc(C)c3[nH]ccc23)ccn1.CC(=O)Nc1cc(-c2cnc(CN)c3c2ccn3S(=O)(=O)C2CC2)ccn1.CC(=O)Nc1cc(-c2cncc3c2ccn3S(=O)(=O)c2ccccc2)ccn1.CCOC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(=O)(=O)C2CC2)ccn1.

What is the InChIKey of N-[4-[7-(aminomethyl)-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;ethyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate;1-[4-(7-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]propan-2-one?

The InChIKey is LGYYXQNJRXCPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S.C19H20N4O4S.C18H19N5O3S.C16H15N3O/c1-14(25)23-20-11-15(7-9-22-20)18-12-21-13-19-17(18)8-10-24(19)28(26,27)16-5-3-2-4-6-16;1-3-27-19(24)22-17-10-13(6-8-20-17)16-11-21-12(2)18-15(16)7-9-23(18)28(25,26)14-4-5-14;1-11(24)22-17-8-12(4-6-20-17)15-10-21-16(9-19)18-14(15)5-7-23(18)27(25,26)13-2-3-13;1-10(20)7-13-8-12(3-5-17-13)15-9-19-11(2)16-14(15)4-6-18-16/h2-13H,1H3,(H,22,23,25);6-11,14H,3-5H2,1-2H3,(H,20,22,24);4-8,10,13H,2-3,9,19H2,1H3,(H,20,22,24);3-6,8-9,18H,7H2,1-2H3.

What are the key properties of N-[4-[7-(aminomethyl)-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;ethyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate;1-[4-(7-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]propan-2-one?

N-[4-[7-(aminomethyl)-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;ethyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate;1-[4-(7-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]propan-2-one has a molecular weight of 1443.66 g/mol, XLogP of 11.53, 17 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[7-(aminomethyl)-1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-[1-(benzenesulfonyl)pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;ethyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate;1-[4-(7-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]propan-2-one is sourced from PubChem (CID 159348049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).