[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[(3S,5R)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;(4-ethylpiperazin-1-yl)-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(2-methoxyethyl)-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(3-phenylazetidin-1-yl)methanone

C112H121N17O11 — CID 165043826

About [(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[(3S,5R)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;(4-ethylpiperazin-1-yl)-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(2-methoxyethyl)-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(3-phenylazetidin-1-yl)methanone

[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[(3S,5R)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;(4-ethylpiperazin-1-yl)-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(2-methoxyethyl)-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(3-phenylazetidin-1-yl)methanone (PubChem CID 165043826) has the molecular formula C112H121N17O11 and a molecular weight of 1881.31 g/mol. Its IUPAC name is [(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[(3S,5R)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;(4-ethylpiperazin-1-yl)-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(2-methoxyethyl)-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(3-phenylazetidin-1-yl)methanone.

Molecular Properties

• Compound Name: [(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[(3S,5R)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;(4-ethylpiperazin-1-yl)-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(2-methoxyethyl)-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(3-phenylazetidin-1-yl)methanone
• PubChem CID: 165043826
• Molecular Formula: C112H121N17O11
• Molecular Weight: 1881.31 g/mol
• Exact Mass: 1879.94
• IUPAC Name: [(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[(3S,5R)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;(4-ethylpiperazin-1-yl)-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(2-methoxyethyl)-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(3-phenylazetidin-1-yl)methanone
• SMILES: CCN1CCN(C(=O)c2cnc3c(ccn3-c3ccc(OC)cc3)c2)CC1.COCCNC(=O)c1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cc1.COc1ccc(-n2ccc3cc(C(=O)N4CC(c5ccccc5)C4)cnc32)cc1.COc1ccc(-n2ccc3cc(C(=O)N4C[C@H](C)C[C@H](C)C4)cnc32)cc1.COc1ccc(-n2ccc3cc(C(=O)N4[C@H](C)CCC[C@@H]4C)cnc32)cc1
• InChI: InChI=1S/C24H21N3O2.C23H26N4O3.2C22H25N3O2.C21H24N4O2/c1-29-22-9-7-21(8-10-22)27-12-11-18-13-19(14-25-23(18)27)24(28)26-15-20(16-26)17-5-3-2-4-6-17;1-30-14-10-24-22(28)17-5-7-20(8-6-17)27-13-9-18-15-19(16-25-21(18)27)23(29)26-11-3-2-4-12-26;1-15-10-16(2)14-24(13-15)22(26)18-11-17-8-9-25(21(17)23-12-18)19-4-6-20(27-3)7-5-19;1-15-5-4-6-16(2)25(15)22(26)18-13-17-11-12-24(21(17)23-14-18)19-7-9-20(27-3)10-8-19;1-3-23-10-12-24(13-11-23)21(26)17-14-16-8-9-25(20(16)22-15-17)18-4-6-19(27-2)7-5-18/h2-14,20H,15-16H2,1H3;5-9,13,15-16H,2-4,10-12,14H2,1H3,(H,24,28);4-9,11-12,15-16H,10,13-14H2,1-3H3;7-16H,4-6H2,1-3H3;4-9,14-15H,3,10-13H2,1-2H3/t;;2*15-,16+
• InChIKey: OOKCQKFIMSEEBJ-OMWFBPMSSA-N
• XLogP: 18.70
• TPSA: 269.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1881.31
LogP ≤ 5	18.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[(3S,5R)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;(4-ethylpiperazin-1-yl)-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(2-methoxyethyl)-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(3-phenylazetidin-1-yl)methanone?

The IUPAC name of [(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[(3S,5R)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;(4-ethylpiperazin-1-yl)-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(2-methoxyethyl)-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(3-phenylazetidin-1-yl)methanone (CID 165043826) is [(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[(3S,5R)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;(4-ethylpiperazin-1-yl)-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(2-methoxyethyl)-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(3-phenylazetidin-1-yl)methanone.

What is the SMILES notation for [(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[(3S,5R)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;(4-ethylpiperazin-1-yl)-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(2-methoxyethyl)-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(3-phenylazetidin-1-yl)methanone?

The canonical SMILES for [(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[(3S,5R)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;(4-ethylpiperazin-1-yl)-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(2-methoxyethyl)-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(3-phenylazetidin-1-yl)methanone is CCN1CCN(C(=O)c2cnc3c(ccn3-c3ccc(OC)cc3)c2)CC1.COCCNC(=O)c1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cc1.COc1ccc(-n2ccc3cc(C(=O)N4CC(c5ccccc5)C4)cnc32)cc1.COc1ccc(-n2ccc3cc(C(=O)N4C[C@H](C)C[C@H](C)C4)cnc32)cc1.COc1ccc(-n2ccc3cc(C(=O)N4[C@H](C)CCC[C@@H]4C)cnc32)cc1.

What is the InChIKey of [(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[(3S,5R)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;(4-ethylpiperazin-1-yl)-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(2-methoxyethyl)-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(3-phenylazetidin-1-yl)methanone?

The InChIKey is OOKCQKFIMSEEBJ-OMWFBPMSSA-N. The full InChI is InChI=1S/C24H21N3O2.C23H26N4O3.2C22H25N3O2.C21H24N4O2/c1-29-22-9-7-21(8-10-22)27-12-11-18-13-19(14-25-23(18)27)24(28)26-15-20(16-26)17-5-3-2-4-6-17;1-30-14-10-24-22(28)17-5-7-20(8-6-17)27-13-9-18-15-19(16-25-21(18)27)23(29)26-11-3-2-4-12-26;1-15-10-16(2)14-24(13-15)22(26)18-11-17-8-9-25(21(17)23-12-18)19-4-6-20(27-3)7-5-19;1-15-5-4-6-16(2)25(15)22(26)18-13-17-11-12-24(21(17)23-14-18)19-7-9-20(27-3)10-8-19;1-3-23-10-12-24(13-11-23)21(26)17-14-16-8-9-25(20(16)22-15-17)18-4-6-19(27-2)7-5-18/h2-14,20H,15-16H2,1H3;5-9,13,15-16H,2-4,10-12,14H2,1H3,(H,24,28);4-9,11-12,15-16H,10,13-14H2,1-3H3;7-16H,4-6H2,1-3H3;4-9,14-15H,3,10-13H2,1-2H3/t;;2*15-,16+;.

What are the key properties of [(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[(3S,5R)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;(4-ethylpiperazin-1-yl)-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(2-methoxyethyl)-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(3-phenylazetidin-1-yl)methanone?

[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[(3S,5R)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;(4-ethylpiperazin-1-yl)-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(2-methoxyethyl)-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(3-phenylazetidin-1-yl)methanone has a molecular weight of 1881.31 g/mol, XLogP of 18.70, 20 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[(3S,5R)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;(4-ethylpiperazin-1-yl)-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(2-methoxyethyl)-4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(3-phenylazetidin-1-yl)methanone is sourced from PubChem (CID 165043826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).