2-[[5-[2-[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]ethyl]-2-(3-methylphenyl)-3-pyridinyl]oxy]-N,N-dimethylethanamine;3-(3,5-difluorophenyl)-8-[2-[6-(3-methylphenyl)-5-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazine;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-3-(3-phenylimidazo[1,2-a]pyrazin-8-yl)propan-1-ol

C89H85F4N15O3 — CID 167704630

IUPAC2-[[5-[2-[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]ethyl]-2-(3-methylphenyl)-3-pyridinyl]oxy]-N,N-dimethylethanamine;3-(3,5-difluorophenyl)-8-[2-[6-(3-methylphenyl)-5-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazine;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-3-(3-phenylimidazo[1,2-a]pyrazin-8-yl)propan-1-ol
SMILESCc1cc(-c2ncc(C(CO)Cc3nccn4c(-c5ccccc5)cnc34)cc2C)ccn1.Cc1cccc(-c2ncc(CCc3nccn4c(-c5cc(F)cc(F)c5)cnc34)cc2OC2CCN(C)CC2)c1.Cc1cccc(-c2ncc(CCc3nccn4c(-c5cc(F)cc(F)c5)cnc34)cc2OCCN(C)C)c1
InChIInChI=1S/C32H31F2N5O.C30H29F2N5O.C27H25N5O/c1-21-4-3-5-23(14-21)31-30(40-27-8-11-38(2)12-9-27)15-22(19-36-31)6-7-28-32-37-20-29(39(32)13-10-35-28)24-16-25(33)18-26(34)17-24;1-20-5-4-6-22(13-20)29-28(38-12-11-36(2)3)14-21(18-34-29)7-8-26-30-35-19-27(37(30)10-9-33-26)23-15-24(31)17-25(32)16-23;1-18-12-22(15-30-26(18)21-8-9-28-19(2)13-21)23(17-33)14-24-27-31-16-25(32(27)11-10-29-24)20-6-4-3-5-7-20/h3-5,10,13-20,27H,6-9,11-12H2,1-2H3;4-6,9-10,13-19H,7-8,11-12H2,1-3H3;3-13,15-16,23,33H,14,17H2,1-2H3
InChIKeyYXMBSMYAJPAMBN-UHFFFAOYSA-N
MW1488.75 g/mol
LogP16.86
Rot. Bonds22

About 2-[[5-[2-[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]ethyl]-2-(3-methylphenyl)-3-pyridinyl]oxy]-N,N-dimethylethanamine;3-(3,5-difluorophenyl)-8-[2-[6-(3-methylphenyl)-5-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazine;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-3-(3-phenylimidazo[1,2-a]pyrazin-8-yl)propan-1-ol

2-[[5-[2-[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]ethyl]-2-(3-methylphenyl)-3-pyridinyl]oxy]-N,N-dimethylethanamine;3-(3,5-difluorophenyl)-8-[2-[6-(3-methylphenyl)-5-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazine;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-3-(3-phenylimidazo[1,2-a]pyrazin-8-yl)propan-1-ol (PubChem CID 167704630) has the molecular formula C89H85F4N15O3 and a molecular weight of 1488.75 g/mol. Its IUPAC name is 2-[[5-[2-[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]ethyl]-2-(3-methylphenyl)-3-pyridinyl]oxy]-N,N-dimethylethanamine;3-(3,5-difluorophenyl)-8-[2-[6-(3-methylphenyl)-5-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazine;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-3-(3-phenylimidazo[1,2-a]pyrazin-8-yl)propan-1-ol.

Molecular Properties

Compound Name2-[[5-[2-[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]ethyl]-2-(3-methylphenyl)-3-pyridinyl]oxy]-N,N-dimethylethanamine;3-(3,5-difluorophenyl)-8-[2-[6-(3-methylphenyl)-5-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazine;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-3-(3-phenylimidazo[1,2-a]pyrazin-8-yl)propan-1-ol
PubChem CID167704630
Molecular FormulaC89H85F4N15O3
Molecular Weight1488.75 g/mol
Exact Mass1487.69
IUPAC Name2-[[5-[2-[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]ethyl]-2-(3-methylphenyl)-3-pyridinyl]oxy]-N,N-dimethylethanamine;3-(3,5-difluorophenyl)-8-[2-[6-(3-methylphenyl)-5-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazine;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-3-(3-phenylimidazo[1,2-a]pyrazin-8-yl)propan-1-ol
SMILESCc1cc(-c2ncc(C(CO)Cc3nccn4c(-c5ccccc5)cnc34)cc2C)ccn1.Cc1cccc(-c2ncc(CCc3nccn4c(-c5cc(F)cc(F)c5)cnc34)cc2OC2CCN(C)CC2)c1.Cc1cccc(-c2ncc(CCc3nccn4c(-c5cc(F)cc(F)c5)cnc34)cc2OCCN(C)C)c1
InChIInChI=1S/C32H31F2N5O.C30H29F2N5O.C27H25N5O/c1-21-4-3-5-23(14-21)31-30(40-27-8-11-38(2)12-9-27)15-22(19-36-31)6-7-28-32-37-20-29(39(32)13-10-35-28)24-16-25(33)18-26(34)17-24;1-20-5-4-6-22(13-20)29-28(38-12-11-36(2)3)14-21(18-34-29)7-8-26-30-35-19-27(37(30)10-9-33-26)23-15-24(31)17-25(32)16-23;1-18-12-22(15-30-26(18)21-8-9-28-19(2)13-21)23(17-33)14-24-27-31-16-25(32(27)11-10-29-24)20-6-4-3-5-7-20/h3-5,10,13-20,27H,6-9,11-12H2,1-2H3;4-6,9-10,13-19H,7-8,11-12H2,1-3H3;3-13,15-16,23,33H,14,17H2,1-2H3
InChIKeyYXMBSMYAJPAMBN-UHFFFAOYSA-N
XLogP16.86
TPSA187.30 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds22
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001488.75
LogP ≤ 516.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Analyze 2-[[5-[2-[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]ethyl]-2-(3-methylphenyl)-3-pyridinyl]oxy]-N,N-dimethylethanamine;3-(3,5-difluorophenyl)-8-[2-[6-(3-methylphenyl)-5-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazine;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-3-(3-phenylimidazo[1,2-a]pyrazin-8-yl)propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[2-[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]ethyl]-2-(3-methylphenyl)-3-pyridinyl]oxy]-N,N-dimethylethanamine;3-(3,5-difluorophenyl)-8-[2-[6-(3-methylphenyl)-5-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazine;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-3-(3-phenylimidazo[1,2-a]pyrazin-8-yl)propan-1-ol?
The IUPAC name of 2-[[5-[2-[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]ethyl]-2-(3-methylphenyl)-3-pyridinyl]oxy]-N,N-dimethylethanamine;3-(3,5-difluorophenyl)-8-[2-[6-(3-methylphenyl)-5-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazine;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-3-(3-phenylimidazo[1,2-a]pyrazin-8-yl)propan-1-ol (CID 167704630) is 2-[[5-[2-[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]ethyl]-2-(3-methylphenyl)-3-pyridinyl]oxy]-N,N-dimethylethanamine;3-(3,5-difluorophenyl)-8-[2-[6-(3-methylphenyl)-5-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazine;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-3-(3-phenylimidazo[1,2-a]pyrazin-8-yl)propan-1-ol.
What is the SMILES notation for 2-[[5-[2-[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]ethyl]-2-(3-methylphenyl)-3-pyridinyl]oxy]-N,N-dimethylethanamine;3-(3,5-difluorophenyl)-8-[2-[6-(3-methylphenyl)-5-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazine;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-3-(3-phenylimidazo[1,2-a]pyrazin-8-yl)propan-1-ol?
The canonical SMILES for 2-[[5-[2-[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]ethyl]-2-(3-methylphenyl)-3-pyridinyl]oxy]-N,N-dimethylethanamine;3-(3,5-difluorophenyl)-8-[2-[6-(3-methylphenyl)-5-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazine;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-3-(3-phenylimidazo[1,2-a]pyrazin-8-yl)propan-1-ol is Cc1cc(-c2ncc(C(CO)Cc3nccn4c(-c5ccccc5)cnc34)cc2C)ccn1.Cc1cccc(-c2ncc(CCc3nccn4c(-c5cc(F)cc(F)c5)cnc34)cc2OC2CCN(C)CC2)c1.Cc1cccc(-c2ncc(CCc3nccn4c(-c5cc(F)cc(F)c5)cnc34)cc2OCCN(C)C)c1.
What is the InChIKey of 2-[[5-[2-[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]ethyl]-2-(3-methylphenyl)-3-pyridinyl]oxy]-N,N-dimethylethanamine;3-(3,5-difluorophenyl)-8-[2-[6-(3-methylphenyl)-5-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazine;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-3-(3-phenylimidazo[1,2-a]pyrazin-8-yl)propan-1-ol?
The InChIKey is YXMBSMYAJPAMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31F2N5O.C30H29F2N5O.C27H25N5O/c1-21-4-3-5-23(14-21)31-30(40-27-8-11-38(2)12-9-27)15-22(19-36-31)6-7-28-32-37-20-29(39(32)13-10-35-28)24-16-25(33)18-26(34)17-24;1-20-5-4-6-22(13-20)29-28(38-12-11-36(2)3)14-21(18-34-29)7-8-26-30-35-19-27(37(30)10-9-33-26)23-15-24(31)17-25(32)16-23;1-18-12-22(15-30-26(18)21-8-9-28-19(2)13-21)23(17-33)14-24-27-31-16-25(32(27)11-10-29-24)20-6-4-3-5-7-20/h3-5,10,13-20,27H,6-9,11-12H2,1-2H3;4-6,9-10,13-19H,7-8,11-12H2,1-3H3;3-13,15-16,23,33H,14,17H2,1-2H3.
What are the key properties of 2-[[5-[2-[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]ethyl]-2-(3-methylphenyl)-3-pyridinyl]oxy]-N,N-dimethylethanamine;3-(3,5-difluorophenyl)-8-[2-[6-(3-methylphenyl)-5-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazine;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-3-(3-phenylimidazo[1,2-a]pyrazin-8-yl)propan-1-ol?
2-[[5-[2-[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]ethyl]-2-(3-methylphenyl)-3-pyridinyl]oxy]-N,N-dimethylethanamine;3-(3,5-difluorophenyl)-8-[2-[6-(3-methylphenyl)-5-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazine;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-3-(3-phenylimidazo[1,2-a]pyrazin-8-yl)propan-1-ol has a molecular weight of 1488.75 g/mol, XLogP of 16.86, 22 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[2-[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]ethyl]-2-(3-methylphenyl)-3-pyridinyl]oxy]-N,N-dimethylethanamine;3-(3,5-difluorophenyl)-8-[2-[6-(3-methylphenyl)-5-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazine;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-3-(3-phenylimidazo[1,2-a]pyrazin-8-yl)propan-1-ol is sourced from PubChem (CID 167704630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).