[3-chloro-1-(3-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(5-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;(1-methylsulfonylpyrrolo[2,3-b]pyridin-5-yl)-piperidin-1-ylmethanone

C110H119Cl3N26O10S2 — CID 164999026

About [3-chloro-1-(3-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(5-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;(1-methylsulfonylpyrrolo[2,3-b]pyridin-5-yl)-piperidin-1-ylmethanone

[3-chloro-1-(3-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(5-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;(1-methylsulfonylpyrrolo[2,3-b]pyridin-5-yl)-piperidin-1-ylmethanone (PubChem CID 164999026) has the molecular formula C110H119Cl3N26O10S2 and a molecular weight of 2135.83 g/mol. Its IUPAC name is [3-chloro-1-(3-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(5-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;(1-methylsulfonylpyrrolo[2,3-b]pyridin-5-yl)-piperidin-1-ylmethanone.

Molecular Properties

• Compound Name: [3-chloro-1-(3-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(5-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;(1-methylsulfonylpyrrolo[2,3-b]pyridin-5-yl)-piperidin-1-ylmethanone
• PubChem CID: 164999026
• Molecular Formula: C110H119Cl3N26O10S2
• Molecular Weight: 2135.83 g/mol
• Exact Mass: 2132.81
• IUPAC Name: [3-chloro-1-(3-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(5-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;(1-methylsulfonylpyrrolo[2,3-b]pyridin-5-yl)-piperidin-1-ylmethanone
• SMILES: CS(=O)(=O)n1ccc2cc(C(=O)N3CCCCC3)cnc21.Cc1ccc(S(=O)(=O)n2ccc3cc(C(=O)N4CCCCC4)cnc32)cc1.Cc1cnc(-n2cc(Cl)c3cc(C(=O)N4CCC(C)CC4)cnc32)cn1.Cc1nc2c(cc1C(=O)N1CCC(C)CC1)c(Cl)cn2-c1cnccn1.Cc1nc2c(ccn2-c2cnccn2)cc1C(=O)N1CCC(C)CC1.Cc1nccnc1-n1cc(Cl)c2cc(C(=O)N3CCC(C)CC3)cnc21
• InChI: InChI=1S/C20H21N3O3S.3C19H20ClN5O.C19H21N5O.C14H17N3O3S/c1-15-5-7-18(8-6-15)27(25,26)23-12-9-16-13-17(14-21-19(16)23)20(24)22-10-3-2-4-11-22;1-12-3-7-24(8-4-12)19(26)14-9-15-16(20)11-25(18(15)23-13(14)2)17-10-21-5-6-22-17;1-12-3-7-24(8-4-12)19(26)14-9-15-16(20)11-25(18(15)23-10-14)17-13(2)21-5-6-22-17;1-12-3-5-24(6-4-12)19(26)14-7-15-16(20)11-25(18(15)23-9-14)17-10-21-13(2)8-22-17;1-13-3-8-23(9-4-13)19(25)16-11-15-5-10-24(18(15)22-14(16)2)17-12-20-6-7-21-17;1-21(19,20)17-8-5-11-9-12(10-15-13(11)17)14(18)16-6-3-2-4-7-16/h5-9,12-14H,2-4,10-11H2,1H3;2*5-6,9-12H,3-4,7-8H2,1-2H3;7-12H,3-6H2,1-2H3;5-7,10-13H,3-4,8-9H2,1-2H3;5,8-10H,2-4,6-7H2,1H3
• InChIKey: HYUNKGSEXFEMGK-UHFFFAOYSA-N
• XLogP: 18.62
• TPSA: 400.18 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 13
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2135.83
LogP ≤ 5	18.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of [3-chloro-1-(3-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(5-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;(1-methylsulfonylpyrrolo[2,3-b]pyridin-5-yl)-piperidin-1-ylmethanone?

The IUPAC name of [3-chloro-1-(3-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(5-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;(1-methylsulfonylpyrrolo[2,3-b]pyridin-5-yl)-piperidin-1-ylmethanone (CID 164999026) is [3-chloro-1-(3-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(5-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;(1-methylsulfonylpyrrolo[2,3-b]pyridin-5-yl)-piperidin-1-ylmethanone.

What is the SMILES notation for [3-chloro-1-(3-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(5-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;(1-methylsulfonylpyrrolo[2,3-b]pyridin-5-yl)-piperidin-1-ylmethanone?

The canonical SMILES for [3-chloro-1-(3-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(5-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;(1-methylsulfonylpyrrolo[2,3-b]pyridin-5-yl)-piperidin-1-ylmethanone is CS(=O)(=O)n1ccc2cc(C(=O)N3CCCCC3)cnc21.Cc1ccc(S(=O)(=O)n2ccc3cc(C(=O)N4CCCCC4)cnc32)cc1.Cc1cnc(-n2cc(Cl)c3cc(C(=O)N4CCC(C)CC4)cnc32)cn1.Cc1nc2c(cc1C(=O)N1CCC(C)CC1)c(Cl)cn2-c1cnccn1.Cc1nc2c(ccn2-c2cnccn2)cc1C(=O)N1CCC(C)CC1.Cc1nccnc1-n1cc(Cl)c2cc(C(=O)N3CCC(C)CC3)cnc21.

What is the InChIKey of [3-chloro-1-(3-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(5-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;(1-methylsulfonylpyrrolo[2,3-b]pyridin-5-yl)-piperidin-1-ylmethanone?

The InChIKey is HYUNKGSEXFEMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S.3C19H20ClN5O.C19H21N5O.C14H17N3O3S/c1-15-5-7-18(8-6-15)27(25,26)23-12-9-16-13-17(14-21-19(16)23)20(24)22-10-3-2-4-11-22;1-12-3-7-24(8-4-12)19(26)14-9-15-16(20)11-25(18(15)23-13(14)2)17-10-21-5-6-22-17;1-12-3-7-24(8-4-12)19(26)14-9-15-16(20)11-25(18(15)23-10-14)17-13(2)21-5-6-22-17;1-12-3-5-24(6-4-12)19(26)14-7-15-16(20)11-25(18(15)23-9-14)17-10-21-13(2)8-22-17;1-13-3-8-23(9-4-13)19(25)16-11-15-5-10-24(18(15)22-14(16)2)17-12-20-6-7-21-17;1-21(19,20)17-8-5-11-9-12(10-15-13(11)17)14(18)16-6-3-2-4-7-16/h5-9,12-14H,2-4,10-11H2,1H3;2*5-6,9-12H,3-4,7-8H2,1-2H3;7-12H,3-6H2,1-2H3;5-7,10-13H,3-4,8-9H2,1-2H3;5,8-10H,2-4,6-7H2,1H3.

What are the key properties of [3-chloro-1-(3-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(5-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;(1-methylsulfonylpyrrolo[2,3-b]pyridin-5-yl)-piperidin-1-ylmethanone?

[3-chloro-1-(3-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(5-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;(1-methylsulfonylpyrrolo[2,3-b]pyridin-5-yl)-piperidin-1-ylmethanone has a molecular weight of 2135.83 g/mol, XLogP of 18.62, 13 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for [3-chloro-1-(3-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(5-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-(6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;(1-methylsulfonylpyrrolo[2,3-b]pyridin-5-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 164999026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).