N-[5-[[3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3S)-3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C57H69N15O3S3 — CID 157269510

About N-[5-[[3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3S)-3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3S)-3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 157269510) has the molecular formula C57H69N15O3S3 and a molecular weight of 1108.48 g/mol. Its IUPAC name is N-[5-[[3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3S)-3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-[[3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3S)-3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
• PubChem CID: 157269510
• Molecular Formula: C57H69N15O3S3
• Molecular Weight: 1108.48 g/mol
• Exact Mass: 1107.49
• IUPAC Name: N-[5-[[3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3S)-3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
• SMILES: CC(=O)Nc1ncc(CN2CCCC(c3cnc4ccn(C)c4c3)C2)s1.CC(=O)Nc1ncc(CN2CCC[C@@H](c3cnc4ccn(C)c4c3)C2)s1.CC(=O)Nc1ncc(CN2CCC[C@H](c3cnc4ccn(C)c4c3)C2)s1
• InChI: InChI=1S/3C19H23N5OS/c3*1-13(25)22-19-21-10-16(26-19)12-24-6-3-4-14(11-24)15-8-18-17(20-9-15)5-7-23(18)2/h3*5,7-10,14H,3-4,6,11-12H2,1-2H3,(H,21,22,25)/t2*14-;/m10./s1
• InChIKey: AYJJECURLRHSKX-LMRQLNNXSA-N
• XLogP: 10.10
• TPSA: 189.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1108.48
LogP ≤ 5	10.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3S)-3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?

The IUPAC name of N-[5-[[3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3S)-3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 157269510) is N-[5-[[3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3S)-3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for N-[5-[[3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3S)-3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for N-[5-[[3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3S)-3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCCC(c3cnc4ccn(C)c4c3)C2)s1.CC(=O)Nc1ncc(CN2CCC[C@@H](c3cnc4ccn(C)c4c3)C2)s1.CC(=O)Nc1ncc(CN2CCC[C@H](c3cnc4ccn(C)c4c3)C2)s1.

What is the InChIKey of N-[5-[[3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3S)-3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?

The InChIKey is AYJJECURLRHSKX-LMRQLNNXSA-N. The full InChI is InChI=1S/3C19H23N5OS/c3*1-13(25)22-19-21-10-16(26-19)12-24-6-3-4-14(11-24)15-8-18-17(20-9-15)5-7-23(18)2/h3*5,7-10,14H,3-4,6,11-12H2,1-2H3,(H,21,22,25)/t2*14-;/m10./s1.

What are the key properties of N-[5-[[3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3S)-3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?

N-[5-[[3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3S)-3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 1108.48 g/mol, XLogP of 10.10, 12 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3S)-3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 157269510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).