[3-chloro-1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-chloropyrrolidin-1-yl)methanone;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-[1-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methanone;(4-methylpiperidin-1-yl)-(1-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-5-yl)methanone

C92H93Cl4N21O5 — CID 164973497

About [3-chloro-1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-chloropyrrolidin-1-yl)methanone;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-[1-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methanone;(4-methylpiperidin-1-yl)-(1-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-5-yl)methanone

[3-chloro-1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-chloropyrrolidin-1-yl)methanone;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-[1-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methanone;(4-methylpiperidin-1-yl)-(1-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-5-yl)methanone (PubChem CID 164973497) has the molecular formula C92H93Cl4N21O5 and a molecular weight of 1714.71 g/mol. Its IUPAC name is [3-chloro-1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-chloropyrrolidin-1-yl)methanone;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-[1-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methanone;(4-methylpiperidin-1-yl)-(1-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-5-yl)methanone.

Molecular Properties

• Compound Name: [3-chloro-1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-chloropyrrolidin-1-yl)methanone;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-[1-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methanone;(4-methylpiperidin-1-yl)-(1-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
• PubChem CID: 164973497
• Molecular Formula: C92H93Cl4N21O5
• Molecular Weight: 1714.71 g/mol
• Exact Mass: 1711.64
• IUPAC Name: [3-chloro-1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-chloropyrrolidin-1-yl)methanone;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-[1-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methanone;(4-methylpiperidin-1-yl)-(1-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
• SMILES: CC1CCN(C(=O)c2cnc3c(c2)c(Cl)cn3-c2cnn(C)c2)CC1.CC1CCN(C(=O)c2cnc3c(ccn3-c3ccncn3)c2)CC1.Cc1ccc(-n2cnc3cc(C(=O)N4CCC(C)CC4)ccc32)nc1.O=C(c1ccc2c(c1)ncn2-c1cccc(Cl)c1)N1CCC(Cl)C1.O=C(c1cnc2c(-c3cccc(Cl)c3)cnn2c1)N1CCCCC1
• InChI: InChI=1S/C20H22N4O.C18H15Cl2N3O.C18H20ClN5O.C18H17ClN4O.C18H19N5O/c1-14-7-9-23(10-8-14)20(25)16-4-5-18-17(11-16)22-13-24(18)19-6-3-15(2)12-21-19;19-13-2-1-3-15(9-13)23-11-21-16-8-12(4-5-17(16)23)18(24)22-7-6-14(20)10-22;1-12-3-5-23(6-4-12)18(25)13-7-15-16(19)11-24(17(15)20-8-13)14-9-21-22(2)10-14;19-15-6-4-5-13(9-15)16-11-21-23-12-14(10-20-17(16)23)18(24)22-7-2-1-3-8-22;1-13-3-7-22(8-4-13)18(24)15-10-14-5-9-23(17(14)20-11-15)16-2-6-19-12-21-16/h3-6,11-14H,7-10H2,1-2H3;1-5,8-9,11,14H,6-7,10H2;7-12H,3-6H2,1-2H3;4-6,9-12H,1-3,7-8H2;2,5-6,9-13H,3-4,7-8H2,1H3
• InChIKey: DLHWYAGKJDSDMO-UHFFFAOYSA-N
• XLogP: 17.38
• TPSA: 259.51 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 10
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1714.71
LogP ≤ 5	17.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-chloro-1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-chloropyrrolidin-1-yl)methanone;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-[1-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methanone;(4-methylpiperidin-1-yl)-(1-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-5-yl)methanone?

The IUPAC name of [3-chloro-1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-chloropyrrolidin-1-yl)methanone;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-[1-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methanone;(4-methylpiperidin-1-yl)-(1-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-5-yl)methanone (CID 164973497) is [3-chloro-1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-chloropyrrolidin-1-yl)methanone;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-[1-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methanone;(4-methylpiperidin-1-yl)-(1-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-5-yl)methanone.

What is the SMILES notation for [3-chloro-1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-chloropyrrolidin-1-yl)methanone;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-[1-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methanone;(4-methylpiperidin-1-yl)-(1-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-5-yl)methanone?

The canonical SMILES for [3-chloro-1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-chloropyrrolidin-1-yl)methanone;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-[1-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methanone;(4-methylpiperidin-1-yl)-(1-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-5-yl)methanone is CC1CCN(C(=O)c2cnc3c(c2)c(Cl)cn3-c2cnn(C)c2)CC1.CC1CCN(C(=O)c2cnc3c(ccn3-c3ccncn3)c2)CC1.Cc1ccc(-n2cnc3cc(C(=O)N4CCC(C)CC4)ccc32)nc1.O=C(c1ccc2c(c1)ncn2-c1cccc(Cl)c1)N1CCC(Cl)C1.O=C(c1cnc2c(-c3cccc(Cl)c3)cnn2c1)N1CCCCC1.

What is the InChIKey of [3-chloro-1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-chloropyrrolidin-1-yl)methanone;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-[1-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methanone;(4-methylpiperidin-1-yl)-(1-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-5-yl)methanone?

The InChIKey is DLHWYAGKJDSDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O.C18H15Cl2N3O.C18H20ClN5O.C18H17ClN4O.C18H19N5O/c1-14-7-9-23(10-8-14)20(25)16-4-5-18-17(11-16)22-13-24(18)19-6-3-15(2)12-21-19;19-13-2-1-3-15(9-13)23-11-21-16-8-12(4-5-17(16)23)18(24)22-7-6-14(20)10-22;1-12-3-5-23(6-4-12)18(25)13-7-15-16(19)11-24(17(15)20-8-13)14-9-21-22(2)10-14;19-15-6-4-5-13(9-15)16-11-21-23-12-14(10-20-17(16)23)18(24)22-7-2-1-3-8-22;1-13-3-7-22(8-4-13)18(24)15-10-14-5-9-23(17(14)20-11-15)16-2-6-19-12-21-16/h3-6,11-14H,7-10H2,1-2H3;1-5,8-9,11,14H,6-7,10H2;7-12H,3-6H2,1-2H3;4-6,9-12H,1-3,7-8H2;2,5-6,9-13H,3-4,7-8H2,1H3.

What are the key properties of [3-chloro-1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-chloropyrrolidin-1-yl)methanone;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-[1-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methanone;(4-methylpiperidin-1-yl)-(1-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-5-yl)methanone?

[3-chloro-1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-chloropyrrolidin-1-yl)methanone;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-[1-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methanone;(4-methylpiperidin-1-yl)-(1-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-5-yl)methanone has a molecular weight of 1714.71 g/mol, XLogP of 17.38, 10 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for [3-chloro-1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-chloropyrrolidin-1-yl)methanone;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-[1-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methanone;(4-methylpiperidin-1-yl)-(1-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-5-yl)methanone is sourced from PubChem (CID 164973497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).