N-[7-(3,5-difluorophenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[7-(2-fluoro-6-hydroxyphenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[7-(2-fluoro-6-methoxyphenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;2-[7-(2-fluorophenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]ethyl formate;formic acid;N-[2-(3-hydroxy-3-methylbutyl)-7-(2-isocyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridin-2-yl]propanoic acid

C165H142F5N31O25 — CID 167558192

IUPACN-[7-(3,5-difluorophenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[7-(2-fluoro-6-hydroxyphenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[7-(2-fluoro-6-methoxyphenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;2-[7-(2-fluorophenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]ethyl formate;formic acid;N-[2-(3-hydroxy-3-methylbutyl)-7-(2-isocyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridin-2-yl]propanoic acid
SMILESCOc1cccc(F)c1-c1cc2nc(CCC(=O)O)cn2cc1NC(=O)c1coc(-c2ccnc(C)c2)n1.Cc1cc(-c2nc(C(=O)Nc3cn4cc(CCC(=O)O)nc4cc3-c3ccccc3)co2)ccn1.Cc1cc(-c2nc(C(=O)Nc3cn4cc(CCC(C)(C)O)nc4cc3-c3c(O)cccc3F)co2)ccn1.Cc1cc(-c2nc(C(=O)Nc3cn4cc(CCC(C)(C)O)nc4cc3-c3cc(F)cc(F)c3)co2)ccn1.Cc1cc(-c2nc(C(=O)Nc3cn4cc(CCOC=O)nc4cc3-c3ccccc3F)co2)ccn1.O=CO.[C-]#[N+]c1ccccc1-c1cc2nc(CCC(C)(C)O)cn2cc1NC(=O)c1coc(-c2ccnc(C)c2)n1
InChIInChI=1S/C29H26N6O3.C28H25F2N5O3.C28H26FN5O4.C27H22FN5O5.C26H20FN5O4.C26H21N5O4.CH2O2/c1-18-13-19(10-12-31-18)28-34-25(17-38-28)27(36)33-24-16-35-15-20(9-11-29(2,3)37)32-26(35)14-22(24)21-7-5-6-8-23(21)30-4;1-16-8-17(5-7-31-16)27-34-24(15-38-27)26(36)33-23-14-35-13-21(4-6-28(2,3)37)32-25(35)12-22(23)18-9-19(29)11-20(30)10-18;1-16-11-17(8-10-30-16)27-33-22(15-38-27)26(36)32-21-14-34-13-18(7-9-28(2,3)37)31-24(34)12-19(21)25-20(29)5-4-6-23(25)35;1-15-10-16(8-9-29-15)27-32-21(14-38-27)26(36)31-20-13-33-12-17(6-7-24(34)35)30-23(33)11-18(20)25-19(28)4-3-5-22(25)37-2;1-16-10-17(6-8-28-16)26-31-23(14-36-26)25(34)30-22-13-32-12-18(7-9-35-15-33)29-24(32)11-20(22)19-4-2-3-5-21(19)27;1-16-11-18(9-10-27-16)26-30-22(15-35-26)25(34)29-21-14-31-13-19(7-8-24(32)33)28-23(31)12-20(21)17-5-3-2-4-6-17;2-1-3/h5-8,10,12-17,37H,9,11H2,1-3H3,(H,33,36);5,7-15,37H,4,6H2,1-3H3,(H,33,36);4-6,8,10-15,35,37H,7,9H2,1-3H3,(H,32,36);3-5,8-14H,6-7H2,1-2H3,(H,31,36)(H,34,35);2-6,8,10-15H,7,9H2,1H3,(H,30,34);2-6,9-15H,7-8H2,1H3,(H,29,34)(H,32,33);1H,(H,2,3)
InChIKeyDHGURSDSTOVNCY-UHFFFAOYSA-N
MW3054.13 g/mol
LogP30.19
Rot. Bonds44

About N-[7-(3,5-difluorophenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[7-(2-fluoro-6-hydroxyphenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[7-(2-fluoro-6-methoxyphenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;2-[7-(2-fluorophenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]ethyl formate;formic acid;N-[2-(3-hydroxy-3-methylbutyl)-7-(2-isocyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridin-2-yl]propanoic acid

N-[7-(3,5-difluorophenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[7-(2-fluoro-6-hydroxyphenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[7-(2-fluoro-6-methoxyphenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;2-[7-(2-fluorophenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]ethyl formate;formic acid;N-[2-(3-hydroxy-3-methylbutyl)-7-(2-isocyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridin-2-yl]propanoic acid (PubChem CID 167558192) has the molecular formula C165H142F5N31O25 and a molecular weight of 3054.13 g/mol. Its IUPAC name is N-[7-(3,5-difluorophenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[7-(2-fluoro-6-hydroxyphenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[7-(2-fluoro-6-methoxyphenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;2-[7-(2-fluorophenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]ethyl formate;formic acid;N-[2-(3-hydroxy-3-methylbutyl)-7-(2-isocyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridin-2-yl]propanoic acid.

Molecular Properties

Compound NameN-[7-(3,5-difluorophenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[7-(2-fluoro-6-hydroxyphenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[7-(2-fluoro-6-methoxyphenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;2-[7-(2-fluorophenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]ethyl formate;formic acid;N-[2-(3-hydroxy-3-methylbutyl)-7-(2-isocyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridin-2-yl]propanoic acid
PubChem CID167558192
Molecular FormulaC165H142F5N31O25
Molecular Weight3054.13 g/mol
Exact Mass3052.07
IUPAC NameN-[7-(3,5-difluorophenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[7-(2-fluoro-6-hydroxyphenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[7-(2-fluoro-6-methoxyphenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;2-[7-(2-fluorophenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]ethyl formate;formic acid;N-[2-(3-hydroxy-3-methylbutyl)-7-(2-isocyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridin-2-yl]propanoic acid
SMILESCOc1cccc(F)c1-c1cc2nc(CCC(=O)O)cn2cc1NC(=O)c1coc(-c2ccnc(C)c2)n1.Cc1cc(-c2nc(C(=O)Nc3cn4cc(CCC(=O)O)nc4cc3-c3ccccc3)co2)ccn1.Cc1cc(-c2nc(C(=O)Nc3cn4cc(CCC(C)(C)O)nc4cc3-c3c(O)cccc3F)co2)ccn1.Cc1cc(-c2nc(C(=O)Nc3cn4cc(CCC(C)(C)O)nc4cc3-c3cc(F)cc(F)c3)co2)ccn1.Cc1cc(-c2nc(C(=O)Nc3cn4cc(CCOC=O)nc4cc3-c3ccccc3F)co2)ccn1.O=CO.[C-]#[N+]c1ccccc1-c1cc2nc(CCC(C)(C)O)cn2cc1NC(=O)c1coc(-c2ccnc(C)c2)n1
InChIInChI=1S/C29H26N6O3.C28H25F2N5O3.C28H26FN5O4.C27H22FN5O5.C26H20FN5O4.C26H21N5O4.CH2O2/c1-18-13-19(10-12-31-18)28-34-25(17-38-28)27(36)33-24-16-35-15-20(9-11-29(2,3)37)32-26(35)14-22(24)21-7-5-6-8-23(21)30-4;1-16-8-17(5-7-31-16)27-34-24(15-38-27)26(36)33-23-14-35-13-21(4-6-28(2,3)37)32-25(35)12-22(23)18-9-19(29)11-20(30)10-18;1-16-11-17(8-10-30-16)27-33-22(15-38-27)26(36)32-21-14-34-13-18(7-9-28(2,3)37)31-24(34)12-19(21)25-20(29)5-4-6-23(25)35;1-15-10-16(8-9-29-15)27-32-21(14-38-27)26(36)31-20-13-33-12-17(6-7-24(34)35)30-23(33)11-18(20)25-19(28)4-3-5-22(25)37-2;1-16-10-17(6-8-28-16)26-31-23(14-36-26)25(34)30-22-13-32-12-18(7-9-35-15-33)29-24(32)11-20(22)19-4-2-3-5-21(19)27;1-16-11-18(9-10-27-16)26-30-22(15-35-26)25(34)29-21-14-31-13-19(7-8-24(32)33)28-23(31)12-20(21)17-5-3-2-4-6-17;2-1-3/h5-8,10,12-17,37H,9,11H2,1-3H3,(H,33,36);5,7-15,37H,4,6H2,1-3H3,(H,33,36);4-6,8,10-15,35,37H,7,9H2,1-3H3,(H,32,36);3-5,8-14H,6-7H2,1-2H3,(H,31,36)(H,34,35);2-6,8,10-15H,7,9H2,1H3,(H,30,34);2-6,9-15H,7-8H2,1H3,(H,29,34)(H,32,33);1H,(H,2,3)
InChIKeyDHGURSDSTOVNCY-UHFFFAOYSA-N
XLogP30.19
TPSA744.63 Ų
H-Bond Donors13
H-Bond Acceptors46
Rotatable Bonds44
Heavy Atoms226
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003054.13
LogP ≤ 530.19
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze N-[7-(3,5-difluorophenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[7-(2-fluoro-6-hydroxyphenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[7-(2-fluoro-6-methoxyphenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;2-[7-(2-fluorophenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]ethyl formate;formic acid;N-[2-(3-hydroxy-3-methylbutyl)-7-(2-isocyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridin-2-yl]propanoic acid with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[7-(3,5-difluorophenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[7-(2-fluoro-6-hydroxyphenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[7-(2-fluoro-6-methoxyphenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;2-[7-(2-fluorophenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]ethyl formate;formic acid;N-[2-(3-hydroxy-3-methylbutyl)-7-(2-isocyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridin-2-yl]propanoic acid?
The IUPAC name of N-[7-(3,5-difluorophenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[7-(2-fluoro-6-hydroxyphenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[7-(2-fluoro-6-methoxyphenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;2-[7-(2-fluorophenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]ethyl formate;formic acid;N-[2-(3-hydroxy-3-methylbutyl)-7-(2-isocyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridin-2-yl]propanoic acid (CID 167558192) is N-[7-(3,5-difluorophenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[7-(2-fluoro-6-hydroxyphenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[7-(2-fluoro-6-methoxyphenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;2-[7-(2-fluorophenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]ethyl formate;formic acid;N-[2-(3-hydroxy-3-methylbutyl)-7-(2-isocyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridin-2-yl]propanoic acid.
What is the SMILES notation for N-[7-(3,5-difluorophenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[7-(2-fluoro-6-hydroxyphenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[7-(2-fluoro-6-methoxyphenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;2-[7-(2-fluorophenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]ethyl formate;formic acid;N-[2-(3-hydroxy-3-methylbutyl)-7-(2-isocyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridin-2-yl]propanoic acid?
The canonical SMILES for N-[7-(3,5-difluorophenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[7-(2-fluoro-6-hydroxyphenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[7-(2-fluoro-6-methoxyphenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;2-[7-(2-fluorophenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]ethyl formate;formic acid;N-[2-(3-hydroxy-3-methylbutyl)-7-(2-isocyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridin-2-yl]propanoic acid is COc1cccc(F)c1-c1cc2nc(CCC(=O)O)cn2cc1NC(=O)c1coc(-c2ccnc(C)c2)n1.Cc1cc(-c2nc(C(=O)Nc3cn4cc(CCC(=O)O)nc4cc3-c3ccccc3)co2)ccn1.Cc1cc(-c2nc(C(=O)Nc3cn4cc(CCC(C)(C)O)nc4cc3-c3c(O)cccc3F)co2)ccn1.Cc1cc(-c2nc(C(=O)Nc3cn4cc(CCC(C)(C)O)nc4cc3-c3cc(F)cc(F)c3)co2)ccn1.Cc1cc(-c2nc(C(=O)Nc3cn4cc(CCOC=O)nc4cc3-c3ccccc3F)co2)ccn1.O=CO.[C-]#[N+]c1ccccc1-c1cc2nc(CCC(C)(C)O)cn2cc1NC(=O)c1coc(-c2ccnc(C)c2)n1.
What is the InChIKey of N-[7-(3,5-difluorophenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[7-(2-fluoro-6-hydroxyphenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[7-(2-fluoro-6-methoxyphenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;2-[7-(2-fluorophenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]ethyl formate;formic acid;N-[2-(3-hydroxy-3-methylbutyl)-7-(2-isocyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridin-2-yl]propanoic acid?
The InChIKey is DHGURSDSTOVNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O3.C28H25F2N5O3.C28H26FN5O4.C27H22FN5O5.C26H20FN5O4.C26H21N5O4.CH2O2/c1-18-13-19(10-12-31-18)28-34-25(17-38-28)27(36)33-24-16-35-15-20(9-11-29(2,3)37)32-26(35)14-22(24)21-7-5-6-8-23(21)30-4;1-16-8-17(5-7-31-16)27-34-24(15-38-27)26(36)33-23-14-35-13-21(4-6-28(2,3)37)32-25(35)12-22(23)18-9-19(29)11-20(30)10-18;1-16-11-17(8-10-30-16)27-33-22(15-38-27)26(36)32-21-14-34-13-18(7-9-28(2,3)37)31-24(34)12-19(21)25-20(29)5-4-6-23(25)35;1-15-10-16(8-9-29-15)27-32-21(14-38-27)26(36)31-20-13-33-12-17(6-7-24(34)35)30-23(33)11-18(20)25-19(28)4-3-5-22(25)37-2;1-16-10-17(6-8-28-16)26-31-23(14-36-26)25(34)30-22-13-32-12-18(7-9-35-15-33)29-24(32)11-20(22)19-4-2-3-5-21(19)27;1-16-11-18(9-10-27-16)26-30-22(15-35-26)25(34)29-21-14-31-13-19(7-8-24(32)33)28-23(31)12-20(21)17-5-3-2-4-6-17;2-1-3/h5-8,10,12-17,37H,9,11H2,1-3H3,(H,33,36);5,7-15,37H,4,6H2,1-3H3,(H,33,36);4-6,8,10-15,35,37H,7,9H2,1-3H3,(H,32,36);3-5,8-14H,6-7H2,1-2H3,(H,31,36)(H,34,35);2-6,8,10-15H,7,9H2,1H3,(H,30,34);2-6,9-15H,7-8H2,1H3,(H,29,34)(H,32,33);1H,(H,2,3).
What are the key properties of N-[7-(3,5-difluorophenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[7-(2-fluoro-6-hydroxyphenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[7-(2-fluoro-6-methoxyphenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;2-[7-(2-fluorophenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]ethyl formate;formic acid;N-[2-(3-hydroxy-3-methylbutyl)-7-(2-isocyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridin-2-yl]propanoic acid?
N-[7-(3,5-difluorophenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[7-(2-fluoro-6-hydroxyphenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[7-(2-fluoro-6-methoxyphenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;2-[7-(2-fluorophenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]ethyl formate;formic acid;N-[2-(3-hydroxy-3-methylbutyl)-7-(2-isocyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridin-2-yl]propanoic acid has a molecular weight of 3054.13 g/mol, XLogP of 30.19, 44 rotatable bonds, 13 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(3,5-difluorophenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[7-(2-fluoro-6-hydroxyphenyl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[7-(2-fluoro-6-methoxyphenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;2-[7-(2-fluorophenyl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]ethyl formate;formic acid;N-[2-(3-hydroxy-3-methylbutyl)-7-(2-isocyanophenyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-7-phenylimidazo[1,2-a]pyridin-2-yl]propanoic acid is sourced from PubChem (CID 167558192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).