3-[7-[4-(aminomethyl)piperidin-1-yl]-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;2-(2-carbamoyl-4-pyridinyl)-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;N-[7-cyclohexyl-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[2-(3-hydroxy-3-methylbutyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[7-[4-(hydroxymethyl)piperidin-1-yl]-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;3-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]propanoic acid

C160H168N36O23 — CID 167550011

IUPAC3-[7-[4-(aminomethyl)piperidin-1-yl]-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;2-(2-carbamoyl-4-pyridinyl)-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;N-[7-cyclohexyl-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[2-(3-hydroxy-3-methylbutyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[7-[4-(hydroxymethyl)piperidin-1-yl]-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;3-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]propanoic acid
SMILESCC(C)(O)CCc1cn2cc(NC(=O)c3coc(-c4ccnc(C(N)=O)c4)n3)c(N3CCCCC3)cc2n1.Cc1cc(-c2nc(C(=O)Nc3cn4cc(CCC(=O)O)nc4cc3-c3cccnc3)co2)ccn1.Cc1cc(-c2nc(C(=O)Nc3cn4cc(CCC(=O)O)nc4cc3N3CCC(CN)CC3)co2)ccn1.Cc1cc(-c2nc(C(=O)Nc3cn4cc(CCC(=O)O)nc4cc3N3CCC(CO)CC3)co2)ccn1.Cc1cc(-c2nc(C(=O)Nc3cn4cc(CCC(C)(C)O)nc4cc3-c3ccccc3)co2)ccn1.Cc1cc(-c2nc(C(=O)Nc3cn4cc(CCC(C)(C)O)nc4cc3C3CCCCC3)co2)ccn1
InChIInChI=1S/C28H33N5O3.C28H27N5O3.C27H31N7O4.C26H29N7O4.C26H28N6O5.C25H20N6O4/c2*1-18-13-20(10-12-29-18)27-32-24(17-36-27)26(34)31-23-16-33-15-21(9-11-28(2,3)35)30-25(33)14-22(23)19-7-5-4-6-8-19;1-27(2,37)8-6-18-14-34-15-20(22(13-23(34)30-18)33-10-4-3-5-11-33)31-25(36)21-16-38-26(32-21)17-7-9-29-19(12-17)24(28)35;1-16-10-18(4-7-28-16)26-31-21(15-37-26)25(36)30-20-14-33-13-19(2-3-24(34)35)29-23(33)11-22(20)32-8-5-17(12-27)6-9-32;1-16-10-18(4-7-27-16)26-30-21(15-37-26)25(36)29-20-13-32-12-19(2-3-24(34)35)28-23(32)11-22(20)31-8-5-17(14-33)6-9-31;1-15-9-16(6-8-27-15)25-30-21(14-35-25)24(34)29-20-13-31-12-18(4-5-23(32)33)28-22(31)10-19(20)17-3-2-7-26-11-17/h10,12-17,19,35H,4-9,11H2,1-3H3,(H,31,34);4-8,10,12-17,35H,9,11H2,1-3H3,(H,31,34);7,9,12-16,37H,3-6,8,10-11H2,1-2H3,(H2,28,35)(H,31,36);4,7,10-11,13-15,17H,2-3,5-6,8-9,12,27H2,1H3,(H,30,36)(H,34,35);4,7,10-13,15,17,33H,2-3,5-6,8-9,14H2,1H3,(H,29,36)(H,34,35);2-3,6-14H,4-5H2,1H3,(H,29,34)(H,32,33)
InChIKeyCGXIVXPNKMODOJ-UHFFFAOYSA-N
MW2963.33 g/mol
LogP24.77
Rot. Bonds45

About 3-[7-[4-(aminomethyl)piperidin-1-yl]-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;2-(2-carbamoyl-4-pyridinyl)-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;N-[7-cyclohexyl-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[2-(3-hydroxy-3-methylbutyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[7-[4-(hydroxymethyl)piperidin-1-yl]-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;3-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]propanoic acid

3-[7-[4-(aminomethyl)piperidin-1-yl]-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;2-(2-carbamoyl-4-pyridinyl)-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;N-[7-cyclohexyl-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[2-(3-hydroxy-3-methylbutyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[7-[4-(hydroxymethyl)piperidin-1-yl]-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;3-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]propanoic acid (PubChem CID 167550011) has the molecular formula C160H168N36O23 and a molecular weight of 2963.33 g/mol. Its IUPAC name is 3-[7-[4-(aminomethyl)piperidin-1-yl]-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;2-(2-carbamoyl-4-pyridinyl)-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;N-[7-cyclohexyl-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[2-(3-hydroxy-3-methylbutyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[7-[4-(hydroxymethyl)piperidin-1-yl]-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;3-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[7-[4-(aminomethyl)piperidin-1-yl]-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;2-(2-carbamoyl-4-pyridinyl)-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;N-[7-cyclohexyl-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[2-(3-hydroxy-3-methylbutyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[7-[4-(hydroxymethyl)piperidin-1-yl]-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;3-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]propanoic acid
PubChem CID167550011
Molecular FormulaC160H168N36O23
Molecular Weight2963.33 g/mol
Exact Mass2961.31
IUPAC Name3-[7-[4-(aminomethyl)piperidin-1-yl]-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;2-(2-carbamoyl-4-pyridinyl)-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;N-[7-cyclohexyl-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[2-(3-hydroxy-3-methylbutyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[7-[4-(hydroxymethyl)piperidin-1-yl]-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;3-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]propanoic acid
SMILESCC(C)(O)CCc1cn2cc(NC(=O)c3coc(-c4ccnc(C(N)=O)c4)n3)c(N3CCCCC3)cc2n1.Cc1cc(-c2nc(C(=O)Nc3cn4cc(CCC(=O)O)nc4cc3-c3cccnc3)co2)ccn1.Cc1cc(-c2nc(C(=O)Nc3cn4cc(CCC(=O)O)nc4cc3N3CCC(CN)CC3)co2)ccn1.Cc1cc(-c2nc(C(=O)Nc3cn4cc(CCC(=O)O)nc4cc3N3CCC(CO)CC3)co2)ccn1.Cc1cc(-c2nc(C(=O)Nc3cn4cc(CCC(C)(C)O)nc4cc3-c3ccccc3)co2)ccn1.Cc1cc(-c2nc(C(=O)Nc3cn4cc(CCC(C)(C)O)nc4cc3C3CCCCC3)co2)ccn1
InChIInChI=1S/C28H33N5O3.C28H27N5O3.C27H31N7O4.C26H29N7O4.C26H28N6O5.C25H20N6O4/c2*1-18-13-20(10-12-29-18)27-32-24(17-36-27)26(34)31-23-16-33-15-21(9-11-28(2,3)35)30-25(33)14-22(23)19-7-5-4-6-8-19;1-27(2,37)8-6-18-14-34-15-20(22(13-23(34)30-18)33-10-4-3-5-11-33)31-25(36)21-16-38-26(32-21)17-7-9-29-19(12-17)24(28)35;1-16-10-18(4-7-28-16)26-31-21(15-37-26)25(36)30-20-14-33-13-19(2-3-24(34)35)29-23(33)11-22(20)32-8-5-17(12-27)6-9-32;1-16-10-18(4-7-27-16)26-30-21(15-37-26)25(36)29-20-13-32-12-19(2-3-24(34)35)28-23(32)11-22(20)31-8-5-17(14-33)6-9-31;1-15-9-16(6-8-27-15)25-30-21(14-35-25)24(34)29-20-13-31-12-18(4-5-23(32)33)28-22(31)10-19(20)17-3-2-7-26-11-17/h10,12-17,19,35H,4-9,11H2,1-3H3,(H,31,34);4-8,10,12-17,35H,9,11H2,1-3H3,(H,31,34);7,9,12-16,37H,3-6,8,10-11H2,1-2H3,(H2,28,35)(H,31,36);4,7,10-11,13-15,17H,2-3,5-6,8-9,12,27H2,1H3,(H,30,36)(H,34,35);4,7,10-13,15,17,33H,2-3,5-6,8-9,14H2,1H3,(H,29,36)(H,34,35);2-3,6-14H,4-5H2,1H3,(H,29,34)(H,32,33)
InChIKeyCGXIVXPNKMODOJ-UHFFFAOYSA-N
XLogP24.77
TPSA796.46 Ų
H-Bond Donors15
H-Bond Acceptors49
Rotatable Bonds45
Heavy Atoms219
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002963.33
LogP ≤ 524.77
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1049

Analyze 3-[7-[4-(aminomethyl)piperidin-1-yl]-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;2-(2-carbamoyl-4-pyridinyl)-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;N-[7-cyclohexyl-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[2-(3-hydroxy-3-methylbutyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[7-[4-(hydroxymethyl)piperidin-1-yl]-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;3-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]propanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[7-[4-(aminomethyl)piperidin-1-yl]-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;2-(2-carbamoyl-4-pyridinyl)-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;N-[7-cyclohexyl-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[2-(3-hydroxy-3-methylbutyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[7-[4-(hydroxymethyl)piperidin-1-yl]-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;3-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]propanoic acid?
The IUPAC name of 3-[7-[4-(aminomethyl)piperidin-1-yl]-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;2-(2-carbamoyl-4-pyridinyl)-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;N-[7-cyclohexyl-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[2-(3-hydroxy-3-methylbutyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[7-[4-(hydroxymethyl)piperidin-1-yl]-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;3-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]propanoic acid (CID 167550011) is 3-[7-[4-(aminomethyl)piperidin-1-yl]-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;2-(2-carbamoyl-4-pyridinyl)-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;N-[7-cyclohexyl-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[2-(3-hydroxy-3-methylbutyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[7-[4-(hydroxymethyl)piperidin-1-yl]-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;3-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]propanoic acid.
What is the SMILES notation for 3-[7-[4-(aminomethyl)piperidin-1-yl]-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;2-(2-carbamoyl-4-pyridinyl)-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;N-[7-cyclohexyl-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[2-(3-hydroxy-3-methylbutyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[7-[4-(hydroxymethyl)piperidin-1-yl]-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;3-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]propanoic acid?
The canonical SMILES for 3-[7-[4-(aminomethyl)piperidin-1-yl]-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;2-(2-carbamoyl-4-pyridinyl)-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;N-[7-cyclohexyl-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[2-(3-hydroxy-3-methylbutyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[7-[4-(hydroxymethyl)piperidin-1-yl]-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;3-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]propanoic acid is CC(C)(O)CCc1cn2cc(NC(=O)c3coc(-c4ccnc(C(N)=O)c4)n3)c(N3CCCCC3)cc2n1.Cc1cc(-c2nc(C(=O)Nc3cn4cc(CCC(=O)O)nc4cc3-c3cccnc3)co2)ccn1.Cc1cc(-c2nc(C(=O)Nc3cn4cc(CCC(=O)O)nc4cc3N3CCC(CN)CC3)co2)ccn1.Cc1cc(-c2nc(C(=O)Nc3cn4cc(CCC(=O)O)nc4cc3N3CCC(CO)CC3)co2)ccn1.Cc1cc(-c2nc(C(=O)Nc3cn4cc(CCC(C)(C)O)nc4cc3-c3ccccc3)co2)ccn1.Cc1cc(-c2nc(C(=O)Nc3cn4cc(CCC(C)(C)O)nc4cc3C3CCCCC3)co2)ccn1.
What is the InChIKey of 3-[7-[4-(aminomethyl)piperidin-1-yl]-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;2-(2-carbamoyl-4-pyridinyl)-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;N-[7-cyclohexyl-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[2-(3-hydroxy-3-methylbutyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[7-[4-(hydroxymethyl)piperidin-1-yl]-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;3-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]propanoic acid?
The InChIKey is CGXIVXPNKMODOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O3.C28H27N5O3.C27H31N7O4.C26H29N7O4.C26H28N6O5.C25H20N6O4/c2*1-18-13-20(10-12-29-18)27-32-24(17-36-27)26(34)31-23-16-33-15-21(9-11-28(2,3)35)30-25(33)14-22(23)19-7-5-4-6-8-19;1-27(2,37)8-6-18-14-34-15-20(22(13-23(34)30-18)33-10-4-3-5-11-33)31-25(36)21-16-38-26(32-21)17-7-9-29-19(12-17)24(28)35;1-16-10-18(4-7-28-16)26-31-21(15-37-26)25(36)30-20-14-33-13-19(2-3-24(34)35)29-23(33)11-22(20)32-8-5-17(12-27)6-9-32;1-16-10-18(4-7-27-16)26-30-21(15-37-26)25(36)29-20-13-32-12-19(2-3-24(34)35)28-23(32)11-22(20)31-8-5-17(14-33)6-9-31;1-15-9-16(6-8-27-15)25-30-21(14-35-25)24(34)29-20-13-31-12-18(4-5-23(32)33)28-22(31)10-19(20)17-3-2-7-26-11-17/h10,12-17,19,35H,4-9,11H2,1-3H3,(H,31,34);4-8,10,12-17,35H,9,11H2,1-3H3,(H,31,34);7,9,12-16,37H,3-6,8,10-11H2,1-2H3,(H2,28,35)(H,31,36);4,7,10-11,13-15,17H,2-3,5-6,8-9,12,27H2,1H3,(H,30,36)(H,34,35);4,7,10-13,15,17,33H,2-3,5-6,8-9,14H2,1H3,(H,29,36)(H,34,35);2-3,6-14H,4-5H2,1H3,(H,29,34)(H,32,33).
What are the key properties of 3-[7-[4-(aminomethyl)piperidin-1-yl]-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;2-(2-carbamoyl-4-pyridinyl)-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;N-[7-cyclohexyl-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[2-(3-hydroxy-3-methylbutyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[7-[4-(hydroxymethyl)piperidin-1-yl]-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;3-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]propanoic acid?
3-[7-[4-(aminomethyl)piperidin-1-yl]-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;2-(2-carbamoyl-4-pyridinyl)-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;N-[7-cyclohexyl-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[2-(3-hydroxy-3-methylbutyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[7-[4-(hydroxymethyl)piperidin-1-yl]-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;3-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]propanoic acid has a molecular weight of 2963.33 g/mol, XLogP of 24.77, 45 rotatable bonds, 15 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[4-(aminomethyl)piperidin-1-yl]-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;2-(2-carbamoyl-4-pyridinyl)-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;N-[7-cyclohexyl-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;N-[2-(3-hydroxy-3-methylbutyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;3-[7-[4-(hydroxymethyl)piperidin-1-yl]-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoic acid;3-[6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]-7-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl]propanoic acid is sourced from PubChem (CID 167550011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).