2,6-difluoro-N-[3-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide

C74H70F6N12O11S3 — CID 123466875

About 2,6-difluoro-N-[3-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide

2,6-difluoro-N-[3-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide (PubChem CID 123466875) has the molecular formula C74H70F6N12O11S3 and a molecular weight of 1513.64 g/mol. Its IUPAC name is 2,6-difluoro-N-[3-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide.

Molecular Properties

• Compound Name: 2,6-difluoro-N-[3-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide
• PubChem CID: 123466875
• Molecular Formula: C74H70F6N12O11S3
• Molecular Weight: 1513.64 g/mol
• Exact Mass: 1512.44
• IUPAC Name: 2,6-difluoro-N-[3-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide
• SMILES: CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4cccc(C)c4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4cccc(OC(C)C)c4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4cccc(OC)c4)c3c2)c1F
• InChI: InChI=1S/C26H26F2N4O4S.C24H22F2N4O4S.C24H22F2N4O3S/c1-4-10-37(34,35)32-22-9-8-21(27)23(24(22)28)26(33)31-17-12-19-20(14-30-25(19)29-13-17)16-6-5-7-18(11-16)36-15(2)3;1-3-9-35(32,33)30-20-8-7-19(25)21(22(20)26)24(31)29-15-11-17-18(13-28-23(17)27-12-15)14-5-4-6-16(10-14)34-2;1-3-9-34(32,33)30-20-8-7-19(25)21(22(20)26)24(31)29-16-11-17-18(13-28-23(17)27-12-16)15-6-4-5-14(2)10-15/h5-9,11-15,32H,4,10H2,1-3H3,(H,29,30)(H,31,33);4-8,10-13,30H,3,9H2,1-2H3,(H,27,28)(H,29,31);4-8,10-13,30H,3,9H2,1-2H3,(H,27,28)(H,29,31)
• InChIKey: VOQZADRTVZVCDH-UHFFFAOYSA-N
• XLogP: 15.84
• TPSA: 330.31 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 14
• Rotatable Bonds: 24
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1513.64
LogP ≤ 5	15.84
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[3-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide?

The IUPAC name of 2,6-difluoro-N-[3-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide (CID 123466875) is 2,6-difluoro-N-[3-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide.

What is the SMILES notation for 2,6-difluoro-N-[3-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide?

The canonical SMILES for 2,6-difluoro-N-[3-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4cccc(C)c4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4cccc(OC(C)C)c4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(-c4cccc(OC)c4)c3c2)c1F.

What is the InChIKey of 2,6-difluoro-N-[3-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide?

The InChIKey is VOQZADRTVZVCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O4S.C24H22F2N4O4S.C24H22F2N4O3S/c1-4-10-37(34,35)32-22-9-8-21(27)23(24(22)28)26(33)31-17-12-19-20(14-30-25(19)29-13-17)16-6-5-7-18(11-16)36-15(2)3;1-3-9-35(32,33)30-20-8-7-19(25)21(22(20)26)24(31)29-15-11-17-18(13-28-23(17)27-12-15)14-5-4-6-16(10-14)34-2;1-3-9-34(32,33)30-20-8-7-19(25)21(22(20)26)24(31)29-16-11-17-18(13-28-23(17)27-12-16)15-6-4-5-14(2)10-15/h5-9,11-15,32H,4,10H2,1-3H3,(H,29,30)(H,31,33);4-8,10-13,30H,3,9H2,1-2H3,(H,27,28)(H,29,31);4-8,10-13,30H,3,9H2,1-2H3,(H,27,28)(H,29,31).

What are the key properties of 2,6-difluoro-N-[3-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide?

2,6-difluoro-N-[3-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide has a molecular weight of 1513.64 g/mol, XLogP of 15.84, 24 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-N-[3-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;2,6-difluoro-N-[3-(3-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide is sourced from PubChem (CID 123466875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).