N-[4-[1-(cyclopropylmethyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;2,2-difluoro-N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate

C70H68F2N16O11S3 — CID 159064951

About N-[4-[1-(cyclopropylmethyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;2,2-difluoro-N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate

N-[4-[1-(cyclopropylmethyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;2,2-difluoro-N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate (PubChem CID 159064951) has the molecular formula C70H68F2N16O11S3 and a molecular weight of 1443.61 g/mol. Its IUPAC name is N-[4-[1-(cyclopropylmethyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;2,2-difluoro-N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate.

Molecular Properties

• Compound Name: N-[4-[1-(cyclopropylmethyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;2,2-difluoro-N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate
• PubChem CID: 159064951
• Molecular Formula: C70H68F2N16O11S3
• Molecular Weight: 1443.61 g/mol
• Exact Mass: 1442.44
• IUPAC Name: N-[4-[1-(cyclopropylmethyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;2,2-difluoro-N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate
• SMILES: CC(=O)Nc1cc(-c2cnc(C)c3c2ccn3CC2CC2)ccn1.CC(=O)Nc1cc(-c2cncc3c2ccn3S(=O)(=O)C2CC2)ccn1.COC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(C)(=O)=O)ccn1.Cc1ncc(-c2ccnc(NC(=O)C3CC3(F)F)c2)c2ccn(S(C)(=O)=O)c12
• InChI: InChI=1S/C19H20N4O.C18H16F2N4O3S.C17H16N4O3S.C16H16N4O4S/c1-12-19-16(6-8-23(19)11-14-3-4-14)17(10-21-12)15-5-7-20-18(9-15)22-13(2)24;1-10-16-12(4-6-24(16)28(2,26)27)13(9-22-10)11-3-5-21-15(7-11)23-17(25)14-8-18(14,19)20;1-11(22)20-17-8-12(4-6-19-17)15-9-18-10-16-14(15)5-7-21(16)25(23,24)13-2-3-13;1-10-15-12(5-7-20(15)25(3,22)23)13(9-18-10)11-4-6-17-14(8-11)19-16(21)24-2/h5-10,14H,3-4,11H2,1-2H3,(H,20,22,24);3-7,9,14H,8H2,1-2H3,(H,21,23,25);4-10,13H,2-3H2,1H3,(H,19,20,22);4-9H,1-3H3,(H,17,19,21)
• InChIKey: JYXZUVONOKOUKL-UHFFFAOYSA-N
• XLogP: 11.37
• TPSA: 350.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1443.61
LogP ≤ 5	11.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

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

The IUPAC name of N-[4-[1-(cyclopropylmethyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;2,2-difluoro-N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate (CID 159064951) is N-[4-[1-(cyclopropylmethyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;2,2-difluoro-N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate.

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

The canonical SMILES for N-[4-[1-(cyclopropylmethyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;2,2-difluoro-N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate is CC(=O)Nc1cc(-c2cnc(C)c3c2ccn3CC2CC2)ccn1.CC(=O)Nc1cc(-c2cncc3c2ccn3S(=O)(=O)C2CC2)ccn1.COC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(C)(=O)=O)ccn1.Cc1ncc(-c2ccnc(NC(=O)C3CC3(F)F)c2)c2ccn(S(C)(=O)=O)c12.

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

The InChIKey is JYXZUVONOKOUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O.C18H16F2N4O3S.C17H16N4O3S.C16H16N4O4S/c1-12-19-16(6-8-23(19)11-14-3-4-14)17(10-21-12)15-5-7-20-18(9-15)22-13(2)24;1-10-16-12(4-6-24(16)28(2,26)27)13(9-22-10)11-3-5-21-15(7-11)23-17(25)14-8-18(14,19)20;1-11(22)20-17-8-12(4-6-19-17)15-9-18-10-16-14(15)5-7-21(16)25(23,24)13-2-3-13;1-10-15-12(5-7-20(15)25(3,22)23)13(9-18-10)11-4-6-17-14(8-11)19-16(21)24-2/h5-10,14H,3-4,11H2,1-2H3,(H,20,22,24);3-7,9,14H,8H2,1-2H3,(H,21,23,25);4-10,13H,2-3H2,1H3,(H,19,20,22);4-9H,1-3H3,(H,17,19,21).

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

N-[4-[1-(cyclopropylmethyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;2,2-difluoro-N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate has a molecular weight of 1443.61 g/mol, XLogP of 11.37, 15 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[1-(cyclopropylmethyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;2,2-difluoro-N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate is sourced from PubChem (CID 159064951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).