[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone

C₂₂H₂₅N₃O₂ — CID 156811453

About [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone

[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone (PubChem CID 156811453) has the molecular formula C₂₂H₂₅N₃O₂ and a molecular weight of 363.46 g/mol. Its IUPAC name is [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone.

Molecular Properties

• Compound Name: [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone
• PubChem CID: 156811453
• Molecular Formula: C₂₂H₂₅N₃O₂
• Molecular Weight: 363.46 g/mol
• Exact Mass: 363.19
• IUPAC Name: [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone
• SMILES: COc1ccc(-n2ccc3cc(C(=O)N4C[C@H](C)C[C@H](C)C4)cnc32)cc1
• InChI: InChI=1S/C22H25N3O2/c1-15-10-16(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/h4-9,11-12,15-16H,10,13-14H2,1-3H3/t15-,16+
• InChIKey: PHPKWHUIWFVGDL-IYBDPMFKSA-N
• XLogP: 4.15
• TPSA: 47.36 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.46
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone?

The IUPAC name of [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone (CID 156811453) is [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone.

What is the SMILES notation for [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone?

The canonical SMILES for [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone is COc1ccc(-n2ccc3cc(C(=O)N4C[C@H](C)C[C@H](C)C4)cnc32)cc1.

What is the InChIKey of [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone?

The InChIKey is PHPKWHUIWFVGDL-IYBDPMFKSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15-10-16(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/h4-9,11-12,15-16H,10,13-14H2,1-3H3/t15-,16+.

What are the key properties of [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone?

[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone has a molecular weight of 363.46 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,5S)-3,5-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone is sourced from PubChem (CID 156811453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156811453 — identifiers, structure, computed properties (public domain)

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