2-[2-(1-aminoethyl)-4-pyridinyl]-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;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;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

C161H172N36O22 — CID 167587851

IUPAC2-[2-(1-aminoethyl)-4-pyridinyl]-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;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;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(N)c1cc(-c2nc(C(=O)Nc3cn4cc(CCC(C)(C)O)nc4cc3N3CCCCC3)co2)ccn1.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/C28H35N7O3.C28H33N5O3.C28H27N5O3.C26H29N7O4.C26H28N6O5.C25H20N6O4/c1-18(29)21-13-19(8-10-30-21)27-33-23(17-38-27)26(36)32-22-16-35-15-20(7-9-28(2,3)37)31-25(35)14-24(22)34-11-5-4-6-12-34;2*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;1-16-10-18(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/h8,10,13-18,37H,4-7,9,11-12,29H2,1-3H3,(H,32,36);10,12-17,19,35H,4-9,11H2,1-3H3,(H,31,34);4-8,10,12-17,35H,9,11H2,1-3H3,(H,31,34);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)
InChIKeyIAOAPZKNKVVDFY-UHFFFAOYSA-N
MW2963.38 g/mol
LogP25.69
Rot. Bonds45

About 2-[2-(1-aminoethyl)-4-pyridinyl]-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;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;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

2-[2-(1-aminoethyl)-4-pyridinyl]-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;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;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 167587851) has the molecular formula C161H172N36O22 and a molecular weight of 2963.38 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)-4-pyridinyl]-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;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;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 Name2-[2-(1-aminoethyl)-4-pyridinyl]-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;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;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 CID167587851
Molecular FormulaC161H172N36O22
Molecular Weight2963.38 g/mol
Exact Mass2961.34
IUPAC Name2-[2-(1-aminoethyl)-4-pyridinyl]-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;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;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(N)c1cc(-c2nc(C(=O)Nc3cn4cc(CCC(C)(C)O)nc4cc3N3CCCCC3)co2)ccn1.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/C28H35N7O3.C28H33N5O3.C28H27N5O3.C26H29N7O4.C26H28N6O5.C25H20N6O4/c1-18(29)21-13-19(8-10-30-21)27-33-23(17-38-27)26(36)32-22-16-35-15-20(7-9-28(2,3)37)31-25(35)14-24(22)34-11-5-4-6-12-34;2*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;1-16-10-18(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/h8,10,13-18,37H,4-7,9,11-12,29H2,1-3H3,(H,32,36);10,12-17,19,35H,4-9,11H2,1-3H3,(H,31,34);4-8,10,12-17,35H,9,11H2,1-3H3,(H,31,34);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)
InChIKeyIAOAPZKNKVVDFY-UHFFFAOYSA-N
XLogP25.69
TPSA779.39 Ų
H-Bond Donors15
H-Bond Acceptors49
Rotatable Bonds45
Heavy Atoms219
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002963.38
LogP ≤ 525.69
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1049

Analyze 2-[2-(1-aminoethyl)-4-pyridinyl]-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;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;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 2-[2-(1-aminoethyl)-4-pyridinyl]-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;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;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 2-[2-(1-aminoethyl)-4-pyridinyl]-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;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;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 167587851) is 2-[2-(1-aminoethyl)-4-pyridinyl]-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;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;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 2-[2-(1-aminoethyl)-4-pyridinyl]-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;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;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 2-[2-(1-aminoethyl)-4-pyridinyl]-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;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;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(N)c1cc(-c2nc(C(=O)Nc3cn4cc(CCC(C)(C)O)nc4cc3N3CCCCC3)co2)ccn1.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 2-[2-(1-aminoethyl)-4-pyridinyl]-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;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;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 IAOAPZKNKVVDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O3.C28H33N5O3.C28H27N5O3.C26H29N7O4.C26H28N6O5.C25H20N6O4/c1-18(29)21-13-19(8-10-30-21)27-33-23(17-38-27)26(36)32-22-16-35-15-20(7-9-28(2,3)37)31-25(35)14-24(22)34-11-5-4-6-12-34;2*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;1-16-10-18(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/h8,10,13-18,37H,4-7,9,11-12,29H2,1-3H3,(H,32,36);10,12-17,19,35H,4-9,11H2,1-3H3,(H,31,34);4-8,10,12-17,35H,9,11H2,1-3H3,(H,31,34);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 2-[2-(1-aminoethyl)-4-pyridinyl]-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;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;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?
2-[2-(1-aminoethyl)-4-pyridinyl]-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;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;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 2963.38 g/mol, XLogP of 25.69, 45 rotatable bonds, 15 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)-4-pyridinyl]-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;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;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 167587851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).