[8-[[4-[3-fluoro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]methanol

C50H62F4N12O — CID 155373917

About [8-[[4-[3-fluoro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]methanol

[8-[[4-[3-fluoro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]methanol (PubChem CID 155373917) has the molecular formula C50H62F4N12O and a molecular weight of 923.12 g/mol. Its IUPAC name is [8-[[4-[3-fluoro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]methanol.

Molecular Properties

• Compound Name: [8-[[4-[3-fluoro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]methanol
• PubChem CID: 155373917
• Molecular Formula: C50H62F4N12O
• Molecular Weight: 923.12 g/mol
• Exact Mass: 922.51
• IUPAC Name: [8-[[4-[3-fluoro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]methanol
• SMILES: Cc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(Cc5ccc(N6CCN(CC(F)(F)F)CC6)n6c(CO)c([C@H]7CCC[C@@H](c8ncccc8C)N7C)nc56)CC4)n3c2F)N1C
• InChI: InChI=1S/C50H62F4N12O/c1-33-10-8-20-55-44(33)36-12-5-14-38(59(36)3)46-40(31-67)65-43(64-28-24-62(25-29-64)32-50(52,53)54)19-18-35(49(65)58-46)30-61-22-26-63(27-23-61)42-17-7-16-41-57-47(48(51)66(41)42)39-15-6-13-37(60(39)4)45-34(2)11-9-21-56-45/h7-11,16-21,36-39,67H,5-6,12-15,22-32H2,1-4H3/t36-,37-,38+,39+/m0/s1
• InChIKey: UQWBXQVNXPJEAT-IZSXRKQISA-N
• XLogP: 7.82
• TPSA: 100.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	923.12
LogP ≤ 5	7.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of [8-[[4-[3-fluoro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]methanol?

The IUPAC name of [8-[[4-[3-fluoro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]methanol (CID 155373917) is [8-[[4-[3-fluoro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]methanol.

What is the SMILES notation for [8-[[4-[3-fluoro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]methanol?

The canonical SMILES for [8-[[4-[3-fluoro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]methanol is Cc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(Cc5ccc(N6CCN(CC(F)(F)F)CC6)n6c(CO)c([C@H]7CCC[C@@H](c8ncccc8C)N7C)nc56)CC4)n3c2F)N1C.

What is the InChIKey of [8-[[4-[3-fluoro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]methanol?

The InChIKey is UQWBXQVNXPJEAT-IZSXRKQISA-N. The full InChI is InChI=1S/C50H62F4N12O/c1-33-10-8-20-55-44(33)36-12-5-14-38(59(36)3)46-40(31-67)65-43(64-28-24-62(25-29-64)32-50(52,53)54)19-18-35(49(65)58-46)30-61-22-26-63(27-23-61)42-17-7-16-41-57-47(48(51)66(41)42)39-15-6-13-37(60(39)4)45-34(2)11-9-21-56-45/h7-11,16-21,36-39,67H,5-6,12-15,22-32H2,1-4H3/t36-,37-,38+,39+/m0/s1.

What are the key properties of [8-[[4-[3-fluoro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]methanol?

[8-[[4-[3-fluoro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]methanol has a molecular weight of 923.12 g/mol, XLogP of 7.82, 10 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [8-[[4-[3-fluoro-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]methyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]methanol is sourced from PubChem (CID 155373917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).