1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-4-piperazin-1-ylpyrrolo[2,3-b]pyridine;[4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-cyclobutylmethanone;tert-butyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;cyclobutyl-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone

C94H105N23O10S3 — CID 159009214

About 1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-4-piperazin-1-ylpyrrolo[2,3-b]pyridine;[4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-cyclobutylmethanone;tert-butyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;cyclobutyl-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone

1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-4-piperazin-1-ylpyrrolo[2,3-b]pyridine;[4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-cyclobutylmethanone;tert-butyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;cyclobutyl-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone (PubChem CID 159009214) has the molecular formula C94H105N23O10S3 and a molecular weight of 1813.23 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-4-piperazin-1-ylpyrrolo[2,3-b]pyridine;[4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-cyclobutylmethanone;tert-butyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;cyclobutyl-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: 1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-4-piperazin-1-ylpyrrolo[2,3-b]pyridine;[4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-cyclobutylmethanone;tert-butyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;cyclobutyl-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone
• PubChem CID: 159009214
• Molecular Formula: C94H105N23O10S3
• Molecular Weight: 1813.23 g/mol
• Exact Mass: 1811.76
• IUPAC Name: 1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-4-piperazin-1-ylpyrrolo[2,3-b]pyridine;[4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-cyclobutylmethanone;tert-butyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;cyclobutyl-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone
• SMILES: Cn1cc(-c2cc3c(N4CCN(C(=O)C5CCC5)CC4)ccnc3n2S(=O)(=O)c2ccccc2)cn1.Cn1cc(-c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ccnc3n2S(=O)(=O)c2ccccc2)cn1.Cn1cc(-c2cc3c(N4CCNCC4)ccnc3n2S(=O)(=O)c2ccccc2)cn1.Cn1cc(C2=Cc3c(N4CCN(C(=O)C5CCC5)CC4)ccnc3C2)cn1
• InChI: InChI=1S/C26H30N6O4S.C26H28N6O3S.C21H22N6O2S.C21H25N5O/c1-26(2,3)36-25(33)31-14-12-30(13-15-31)22-10-11-27-24-21(22)16-23(19-17-28-29(4)18-19)32(24)37(34,35)20-8-6-5-7-9-20;1-29-18-20(17-28-29)24-16-22-23(30-12-14-31(15-13-30)26(33)19-6-5-7-19)10-11-27-25(22)32(24)36(34,35)21-8-3-2-4-9-21;1-25-15-16(14-24-25)20-13-18-19(26-11-9-22-10-12-26)7-8-23-21(18)27(20)30(28,29)17-5-3-2-4-6-17;1-24-14-17(13-23-24)16-11-18-19(12-16)22-6-5-20(18)25-7-9-26(10-8-25)21(27)15-3-2-4-15/h5-11,16-18H,12-15H2,1-4H3;2-4,8-11,16-19H,5-7,12-15H2,1H3;2-8,13-15,22H,9-12H2,1H3;5-6,11,13-15H,2-4,7-10,12H2,1H3
• InChIKey: JSHLORHDPQKNBP-UHFFFAOYSA-N
• XLogP: 11.30
• TPSA: 335.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 30
• Rotatable Bonds: 16
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1813.23
LogP ≤ 5	11.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-4-piperazin-1-ylpyrrolo[2,3-b]pyridine;[4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-cyclobutylmethanone;tert-butyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;cyclobutyl-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone?

The IUPAC name of 1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-4-piperazin-1-ylpyrrolo[2,3-b]pyridine;[4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-cyclobutylmethanone;tert-butyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;cyclobutyl-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone (CID 159009214) is 1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-4-piperazin-1-ylpyrrolo[2,3-b]pyridine;[4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-cyclobutylmethanone;tert-butyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;cyclobutyl-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone.

What is the SMILES notation for 1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-4-piperazin-1-ylpyrrolo[2,3-b]pyridine;[4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-cyclobutylmethanone;tert-butyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;cyclobutyl-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone?

The canonical SMILES for 1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-4-piperazin-1-ylpyrrolo[2,3-b]pyridine;[4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-cyclobutylmethanone;tert-butyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;cyclobutyl-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone is Cn1cc(-c2cc3c(N4CCN(C(=O)C5CCC5)CC4)ccnc3n2S(=O)(=O)c2ccccc2)cn1.Cn1cc(-c2cc3c(N4CCN(C(=O)OC(C)(C)C)CC4)ccnc3n2S(=O)(=O)c2ccccc2)cn1.Cn1cc(-c2cc3c(N4CCNCC4)ccnc3n2S(=O)(=O)c2ccccc2)cn1.Cn1cc(C2=Cc3c(N4CCN(C(=O)C5CCC5)CC4)ccnc3C2)cn1.

What is the InChIKey of 1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-4-piperazin-1-ylpyrrolo[2,3-b]pyridine;[4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-cyclobutylmethanone;tert-butyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;cyclobutyl-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone?

The InChIKey is JSHLORHDPQKNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O4S.C26H28N6O3S.C21H22N6O2S.C21H25N5O/c1-26(2,3)36-25(33)31-14-12-30(13-15-31)22-10-11-27-24-21(22)16-23(19-17-28-29(4)18-19)32(24)37(34,35)20-8-6-5-7-9-20;1-29-18-20(17-28-29)24-16-22-23(30-12-14-31(15-13-30)26(33)19-6-5-7-19)10-11-27-25(22)32(24)36(34,35)21-8-3-2-4-9-21;1-25-15-16(14-24-25)20-13-18-19(26-11-9-22-10-12-26)7-8-23-21(18)27(20)30(28,29)17-5-3-2-4-6-17;1-24-14-17(13-23-24)16-11-18-19(12-16)22-6-5-20(18)25-7-9-26(10-8-25)21(27)15-3-2-4-15/h5-11,16-18H,12-15H2,1-4H3;2-4,8-11,16-19H,5-7,12-15H2,1H3;2-8,13-15,22H,9-12H2,1H3;5-6,11,13-15H,2-4,7-10,12H2,1H3.

What are the key properties of 1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-4-piperazin-1-ylpyrrolo[2,3-b]pyridine;[4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-cyclobutylmethanone;tert-butyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;cyclobutyl-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone?

1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-4-piperazin-1-ylpyrrolo[2,3-b]pyridine;[4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-cyclobutylmethanone;tert-butyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;cyclobutyl-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone has a molecular weight of 1813.23 g/mol, XLogP of 11.30, 16 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-4-piperazin-1-ylpyrrolo[2,3-b]pyridine;[4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-cyclobutylmethanone;tert-butyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;cyclobutyl-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 159009214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).