3-chloro-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine

C25H31ClN6 — CID 146555557

About 3-chloro-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine

3-chloro-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine (PubChem CID 146555557) has the molecular formula C25H31ClN6 and a molecular weight of 451.02 g/mol. Its IUPAC name is 3-chloro-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 3-chloro-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine
• PubChem CID: 146555557
• Molecular Formula: C25H31ClN6
• Molecular Weight: 451.02 g/mol
• Exact Mass: 450.23
• IUPAC Name: 3-chloro-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine
• SMILES: Cc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CC5CCC(C4)N5C)n3c2Cl)N1
• InChI: InChI=1S/C25H31ClN6/c1-16-6-5-13-27-23(16)19-7-3-8-20(28-19)24-25(26)32-21(29-24)9-4-10-22(32)31-14-17-11-12-18(15-31)30(17)2/h4-6,9-10,13,17-20,28H,3,7-8,11-12,14-15H2,1-2H3/t17?,18?,19-,20+/m0/s1
• InChIKey: YWQBZYCYQLGOEL-GHBBCFCZSA-N
• XLogP: 4.53
• TPSA: 48.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.02
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine?

The IUPAC name of 3-chloro-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine (CID 146555557) is 3-chloro-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine.

What is the SMILES notation for 3-chloro-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine?

The canonical SMILES for 3-chloro-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine is Cc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CC5CCC(C4)N5C)n3c2Cl)N1.

What is the InChIKey of 3-chloro-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine?

The InChIKey is YWQBZYCYQLGOEL-GHBBCFCZSA-N. The full InChI is InChI=1S/C25H31ClN6/c1-16-6-5-13-27-23(16)19-7-3-8-20(28-19)24-25(26)32-21(29-24)9-4-10-22(32)31-14-17-11-12-18(15-31)30(17)2/h4-6,9-10,13,17-20,28H,3,7-8,11-12,14-15H2,1-2H3/t17?,18?,19-,20+/m0/s1.

What are the key properties of 3-chloro-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine?

3-chloro-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine has a molecular weight of 451.02 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 146555557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).