2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine

C28H39N5 — CID 146555446

About 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine

2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine (PubChem CID 146555446) has the molecular formula C28H39N5 and a molecular weight of 445.66 g/mol. Its IUPAC name is 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine
• PubChem CID: 146555446
• Molecular Formula: C28H39N5
• Molecular Weight: 445.66 g/mol
• Exact Mass: 445.32
• IUPAC Name: 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine
• SMILES: Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccn3c2CC2CCN(C(C)C)CC2)N1C
• InChI: InChI=1S/C28H39N5/c1-20(2)32-17-13-22(14-18-32)19-25-28(30-26-12-5-6-16-33(25)26)24-11-7-10-23(31(24)4)27-21(3)9-8-15-29-27/h5-6,8-9,12,15-16,20,22-24H,7,10-11,13-14,17-19H2,1-4H3/t23-,24+/m0/s1
• InChIKey: NRTDKTLAEVGXFX-BJKOFHAPSA-N
• XLogP: 5.60
• TPSA: 36.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.66
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine (CID 146555446) is 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine.

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

The canonical SMILES for 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine is Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccn3c2CC2CCN(C(C)C)CC2)N1C.

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

The InChIKey is NRTDKTLAEVGXFX-BJKOFHAPSA-N. The full InChI is InChI=1S/C28H39N5/c1-20(2)32-17-13-22(14-18-32)19-25-28(30-26-12-5-6-16-33(25)26)24-11-7-10-23(31(24)4)27-21(3)9-8-15-29-27/h5-6,8-9,12,15-16,20,22-24H,7,10-11,13-14,17-19H2,1-4H3/t23-,24+/m0/s1.

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

2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine has a molecular weight of 445.66 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 146555446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).