2-(5-methoxyindol-1-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;2-(4-methylphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;3-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

C89H77N23O9 — CID 158793047

IUPAC2-(5-methoxyindol-1-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;2-(4-methylphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;3-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(Oc1cccc(C#N)c1)C(=O)Cc1nc(-c2ccccn2)n[nH]1.CC(Oc1ccccc1C#N)C(=O)CC1=NN=C(c2ccccn2)C1.COc1ccc2c(ccn2CC(=O)Nc2cnc(-c3ccccn3)[nH]2)c1.Cc1ccc(CC(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1.O=C(NC1=NN=C(c2ccccn2)C1)C1Cc2ccccc2O1
InChIInChI=1S/C19H17N5O2.C19H16N4O2.C18H15N5O2.C17H14N4O2.C16H15N5O/c1-26-14-5-6-16-13(10-14)7-9-24(16)12-18(25)22-17-11-21-19(23-17)15-4-2-3-8-20-15;1-13(25-19-8-3-2-6-14(19)12-20)18(24)11-15-10-17(23-22-15)16-7-4-5-9-21-16;1-12(25-14-6-4-5-13(9-14)11-19)16(24)10-17-21-18(23-22-17)15-7-2-3-8-20-15;22-17(15-9-11-5-1-2-7-14(11)23-15)19-16-10-13(20-21-16)12-6-3-4-8-18-12;1-11-5-7-12(8-6-11)10-14(22)18-16-19-15(20-21-16)13-4-2-3-9-17-13/h2-11H,12H2,1H3,(H,21,23)(H,22,25);2-9,13H,10-11H2,1H3;2-9,12H,10H2,1H3,(H,21,22,23);1-8,15H,9-10H2,(H,19,21,22);2-9H,10H2,1H3,(H2,18,19,20,21,22)
InChIKeyISNBNTSBBXRLIT-UHFFFAOYSA-N
MW1612.75 g/mol
LogP12.38
Rot. Bonds23

About 2-(5-methoxyindol-1-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;2-(4-methylphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;3-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

2-(5-methoxyindol-1-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;2-(4-methylphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;3-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 158793047) has the molecular formula C89H77N23O9 and a molecular weight of 1612.75 g/mol. Its IUPAC name is 2-(5-methoxyindol-1-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;2-(4-methylphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;3-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name2-(5-methoxyindol-1-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;2-(4-methylphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;3-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID158793047
Molecular FormulaC89H77N23O9
Molecular Weight1612.75 g/mol
Exact Mass1611.63
IUPAC Name2-(5-methoxyindol-1-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;2-(4-methylphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;3-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(Oc1cccc(C#N)c1)C(=O)Cc1nc(-c2ccccn2)n[nH]1.CC(Oc1ccccc1C#N)C(=O)CC1=NN=C(c2ccccn2)C1.COc1ccc2c(ccn2CC(=O)Nc2cnc(-c3ccccn3)[nH]2)c1.Cc1ccc(CC(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1.O=C(NC1=NN=C(c2ccccn2)C1)C1Cc2ccccc2O1
InChIInChI=1S/C19H17N5O2.C19H16N4O2.C18H15N5O2.C17H14N4O2.C16H15N5O/c1-26-14-5-6-16-13(10-14)7-9-24(16)12-18(25)22-17-11-21-19(23-17)15-4-2-3-8-20-15;1-13(25-19-8-3-2-6-14(19)12-20)18(24)11-15-10-17(23-22-15)16-7-4-5-9-21-16;1-12(25-14-6-4-5-13(9-14)11-19)16(24)10-17-21-18(23-22-17)15-7-2-3-8-20-15;22-17(15-9-11-5-1-2-7-14(11)23-15)19-16-10-13(20-21-16)12-6-3-4-8-18-12;1-11-5-7-12(8-6-11)10-14(22)18-16-19-15(20-21-16)13-4-2-3-9-17-13/h2-11H,12H2,1H3,(H,21,23)(H,22,25);2-9,13H,10-11H2,1H3;2-9,12H,10H2,1H3,(H,21,22,23);1-8,15H,9-10H2,(H,19,21,22);2-9H,10H2,1H3,(H2,18,19,20,21,22)
InChIKeyISNBNTSBBXRLIT-UHFFFAOYSA-N
XLogP12.38
TPSA436.58 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001612.75
LogP ≤ 512.38
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Analyze 2-(5-methoxyindol-1-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;2-(4-methylphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;3-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

2-(benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;5-chloro-2-morpholin-4-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrimidine-4-carboxamide;2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(5-methoxyindol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(4-methylphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;6-(1-phenylethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 158029140
4-(4-cyano-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl)-N,N-diethylbenzamide;12-(2-methoxyphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(4-methoxyphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(1-methylimidazol-2-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;bis(12-phenyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile)
CID 158066193
2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[4-(cyanomethyl)phenoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-indol-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-(4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide;4-pyridin-3-yloxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 158492825
2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(5-methoxyindol-1-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;2-(4-methylphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 158573145
2-(benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(5-methoxyindol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(4-methylphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;6-(1-phenylethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 158937577
2-(benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;2-(5-methoxyindol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(4-methylphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;6-(1-phenylethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 159255100
5-chloro-2-piperidin-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrimidine-4-carboxamide;2-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;3-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;6-(1-phenylethoxy)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-3-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 159797924
1-(2,4-difluorophenoxy)-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;2-(1H-indol-3-yl)-N-(5-pyridin-2-yl-1H-imidazol-2-yl)acetamide;2-(3-methoxyphenyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;1-[2-(1-methylpyrazol-4-yl)cyclopropyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethanone;3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide;N-(2-pyridin-2-yl-1H-imidazol-5-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 159828715
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;1-(2-ethylphenoxy)-3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propan-2-one;methyl 5-[1-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]ethenyl]pyridine-3-carboxylate;4-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;1-pyrazin-2-yl-N-(2-pyridin-2-yl-1H-imidazol-5-yl)piperidine-3-carboxamide;N-[4-[(2-pyridin-2-yl-1H-imidazol-5-yl)carbamoyl]phenyl]pyridine-2-carboxamide
CID 160017449
2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[4-(cyanomethyl)phenoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide;3-indol-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-(4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide;4-pyridin-3-yloxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 160971070
2-[4-(cyanomethyl)phenoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-indol-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-(4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide;4-pyridin-3-yloxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 160994910
2-[4-(cyanomethyl)phenoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-indol-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-(4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;6-oxo-1-(2-phenoxyethyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridazine-3-carboxamide;3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide;4-pyridin-3-yloxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 161056711

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxyindol-1-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;2-(4-methylphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;3-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 2-(5-methoxyindol-1-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;2-(4-methylphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;3-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 158793047) is 2-(5-methoxyindol-1-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;2-(4-methylphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;3-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 2-(5-methoxyindol-1-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;2-(4-methylphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;3-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 2-(5-methoxyindol-1-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;2-(4-methylphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;3-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is CC(Oc1cccc(C#N)c1)C(=O)Cc1nc(-c2ccccn2)n[nH]1.CC(Oc1ccccc1C#N)C(=O)CC1=NN=C(c2ccccn2)C1.COc1ccc2c(ccn2CC(=O)Nc2cnc(-c3ccccn3)[nH]2)c1.Cc1ccc(CC(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1.O=C(NC1=NN=C(c2ccccn2)C1)C1Cc2ccccc2O1.
What is the InChIKey of 2-(5-methoxyindol-1-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;2-(4-methylphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;3-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is ISNBNTSBBXRLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2.C19H16N4O2.C18H15N5O2.C17H14N4O2.C16H15N5O/c1-26-14-5-6-16-13(10-14)7-9-24(16)12-18(25)22-17-11-21-19(23-17)15-4-2-3-8-20-15;1-13(25-19-8-3-2-6-14(19)12-20)18(24)11-15-10-17(23-22-15)16-7-4-5-9-21-16;1-12(25-14-6-4-5-13(9-14)11-19)16(24)10-17-21-18(23-22-17)15-7-2-3-8-20-15;22-17(15-9-11-5-1-2-7-14(11)23-15)19-16-10-13(20-21-16)12-6-3-4-8-18-12;1-11-5-7-12(8-6-11)10-14(22)18-16-19-15(20-21-16)13-4-2-3-9-17-13/h2-11H,12H2,1H3,(H,21,23)(H,22,25);2-9,13H,10-11H2,1H3;2-9,12H,10H2,1H3,(H,21,22,23);1-8,15H,9-10H2,(H,19,21,22);2-9H,10H2,1H3,(H2,18,19,20,21,22).
What are the key properties of 2-(5-methoxyindol-1-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;2-(4-methylphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;3-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
2-(5-methoxyindol-1-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;2-(4-methylphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;3-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 1612.75 g/mol, XLogP of 12.38, 23 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxyindol-1-yl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)acetamide;2-(4-methylphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[3-oxo-4-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-yl]oxybenzonitrile;3-[3-oxo-4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-yl]oxybenzonitrile;N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 158793047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).