2-[(2S,6R)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine

C₂₂H₂₇ClN₆ — CID 145424524

About 2-[(2S,6R)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine

2-[(2S,6R)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine (PubChem CID 145424524) has the molecular formula C₂₂H₂₇ClN₆ and a molecular weight of 410.95 g/mol. Its IUPAC name is 2-[(2S,6R)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 2-[(2S,6R)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
• PubChem CID: 145424524
• Molecular Formula: C₂₂H₂₇ClN₆
• Molecular Weight: 410.95 g/mol
• Exact Mass: 410.20
• IUPAC Name: 2-[(2S,6R)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
• SMILES: CN1CCN(c2cccc3nc([C@@H]4CCC[C@H](c5ncccc5Cl)N4)cn23)CC1
• InChI: InChI=1S/C22H27ClN6/c1-27-11-13-28(14-12-27)21-9-3-8-20-26-19(15-29(20)21)17-6-2-7-18(25-17)22-16(23)5-4-10-24-22/h3-5,8-10,15,17-18,25H,2,6-7,11-14H2,1H3/t17-,18+/m0/s1
• InChIKey: PWZQFSVLFNTTGQ-ZWKOTPCHSA-N
• XLogP: 3.69
• TPSA: 48.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.95
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine?

The IUPAC name of 2-[(2S,6R)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine (CID 145424524) is 2-[(2S,6R)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine.

What is the SMILES notation for 2-[(2S,6R)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine?

The canonical SMILES for 2-[(2S,6R)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine is CN1CCN(c2cccc3nc([C@@H]4CCC[C@H](c5ncccc5Cl)N4)cn23)CC1.

What is the InChIKey of 2-[(2S,6R)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine?

The InChIKey is PWZQFSVLFNTTGQ-ZWKOTPCHSA-N. The full InChI is InChI=1S/C22H27ClN6/c1-27-11-13-28(14-12-27)21-9-3-8-20-26-19(15-29(20)21)17-6-2-7-18(25-17)22-16(23)5-4-10-24-22/h3-5,8-10,15,17-18,25H,2,6-7,11-14H2,1H3/t17-,18+/m0/s1.

What are the key properties of 2-[(2S,6R)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine?

2-[(2S,6R)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine has a molecular weight of 410.95 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S,6R)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 145424524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 145424524 — identifiers, structure, computed properties (public domain)

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