N-[2-[3-cyano-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]ethyl]acetamide;5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-2-hydroxy-1-methyl-6-oxo-4-(4-oxo-3H-quinazolin-2-yl)pyridine-3-carboxylic acid;5-[[2-(4,6-diamino-1,3,5-triazin-2-yl)-1,2,4-triazol-3-yl]diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile;2-hydroxy-4-methyl-5-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]-6-oxo-1-pyrimidin-2-ylpyridine-3-carbonitrile;methyl 5-[[4-cyano-1-[6-(hydroxymethyl)pyrimidin-4-yl]pyrazol-5-yl]diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridin-4-ylpyridine-3-carboxylate

C96H73N51O17 — CID 160543202

IUPACN-[2-[3-cyano-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]ethyl]acetamide;5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-2-hydroxy-1-methyl-6-oxo-4-(4-oxo-3H-quinazolin-2-yl)pyridine-3-carboxylic acid;5-[[2-(4,6-diamino-1,3,5-triazin-2-yl)-1,2,4-triazol-3-yl]diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile;2-hydroxy-4-methyl-5-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]-6-oxo-1-pyrimidin-2-ylpyridine-3-carbonitrile;methyl 5-[[4-cyano-1-[6-(hydroxymethyl)pyrimidin-4-yl]pyrazol-5-yl]diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridin-4-ylpyridine-3-carboxylate
SMILESCC(=O)NCCn1c(O)c(C#N)c(C)c(/N=N/c2c(C#N)cnn2-c2ncccn2)c1=O.COC(=O)c1c(C)c(/N=N/c2c(C#N)cnn2-c2cc(CO)ncn2)c(=O)n(-c2ccncc2)c1O.Cc1c(C#N)c(O)n(C)c(=O)c1/N=N/c1ncnn1-c1nc(N)nc(N)n1.Cc1nc(/N=N/c2c(C)c(C#N)c(O)n(-c3ncccn3)c2=O)n(-c2ncccn2)n1.Cn1c(O)c(C(=O)O)c(-c2nc3ccccc3c(=O)[nH]2)c(/N=N/c2c(C#N)cnn2-c2ccccn2)c1=O
InChIInChI=1S/C24H15N9O5.C22H17N9O5.C19H16N10O3.C18H13N11O2.C13H12N12O2/c1-32-22(35)17(24(37)38)16(19-28-14-7-3-2-6-13(14)21(34)29-19)18(23(32)36)30-31-20-12(10-25)11-27-33(20)15-8-4-5-9-26-15;1-12-17(22(35)36-2)20(33)30(15-3-5-24-6-4-15)21(34)18(12)28-29-19-13(8-23)9-27-31(19)16-7-14(10-32)25-11-26-16;1-11-14(9-21)17(31)28(7-6-22-12(2)30)18(32)15(11)26-27-16-13(8-20)10-25-29(16)19-23-4-3-5-24-19;1-10-12(9-19)14(30)28(16-20-5-3-6-21-16)15(31)13(10)25-26-18-24-11(2)27-29(18)17-22-7-4-8-23-17;1-5-6(3-14)8(26)24(2)9(27)7(5)22-23-12-17-4-18-25(12)13-20-10(15)19-11(16)21-13/h2-9,11,35H,1H3,(H,37,38)(H,28,29,34);3-7,9,11,32-33H,10H2,1-2H3;3-5,10,31H,6-7H2,1-2H3,(H,22,30);3-8,30H,1-2H3;4,26H,1-2H3,(H4,15,16,19,20,21)/b31-30+;29-28+;27-26+;26-25+;23-22+
InChIKeySYVVEKGNDYUVJR-UYRZNRAGSA-N
MW2212.98 g/mol
LogP6.71
Rot. Bonds24

About N-[2-[3-cyano-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]ethyl]acetamide;5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-2-hydroxy-1-methyl-6-oxo-4-(4-oxo-3H-quinazolin-2-yl)pyridine-3-carboxylic acid;5-[[2-(4,6-diamino-1,3,5-triazin-2-yl)-1,2,4-triazol-3-yl]diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile;2-hydroxy-4-methyl-5-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]-6-oxo-1-pyrimidin-2-ylpyridine-3-carbonitrile;methyl 5-[[4-cyano-1-[6-(hydroxymethyl)pyrimidin-4-yl]pyrazol-5-yl]diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridin-4-ylpyridine-3-carboxylate

N-[2-[3-cyano-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]ethyl]acetamide;5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-2-hydroxy-1-methyl-6-oxo-4-(4-oxo-3H-quinazolin-2-yl)pyridine-3-carboxylic acid;5-[[2-(4,6-diamino-1,3,5-triazin-2-yl)-1,2,4-triazol-3-yl]diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile;2-hydroxy-4-methyl-5-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]-6-oxo-1-pyrimidin-2-ylpyridine-3-carbonitrile;methyl 5-[[4-cyano-1-[6-(hydroxymethyl)pyrimidin-4-yl]pyrazol-5-yl]diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridin-4-ylpyridine-3-carboxylate (PubChem CID 160543202) has the molecular formula C96H73N51O17 and a molecular weight of 2212.98 g/mol. Its IUPAC name is N-[2-[3-cyano-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]ethyl]acetamide;5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-2-hydroxy-1-methyl-6-oxo-4-(4-oxo-3H-quinazolin-2-yl)pyridine-3-carboxylic acid;5-[[2-(4,6-diamino-1,3,5-triazin-2-yl)-1,2,4-triazol-3-yl]diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile;2-hydroxy-4-methyl-5-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]-6-oxo-1-pyrimidin-2-ylpyridine-3-carbonitrile;methyl 5-[[4-cyano-1-[6-(hydroxymethyl)pyrimidin-4-yl]pyrazol-5-yl]diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridin-4-ylpyridine-3-carboxylate.

Molecular Properties

Compound NameN-[2-[3-cyano-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]ethyl]acetamide;5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-2-hydroxy-1-methyl-6-oxo-4-(4-oxo-3H-quinazolin-2-yl)pyridine-3-carboxylic acid;5-[[2-(4,6-diamino-1,3,5-triazin-2-yl)-1,2,4-triazol-3-yl]diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile;2-hydroxy-4-methyl-5-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]-6-oxo-1-pyrimidin-2-ylpyridine-3-carbonitrile;methyl 5-[[4-cyano-1-[6-(hydroxymethyl)pyrimidin-4-yl]pyrazol-5-yl]diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridin-4-ylpyridine-3-carboxylate
PubChem CID160543202
Molecular FormulaC96H73N51O17
Molecular Weight2212.98 g/mol
Exact Mass2211.64
IUPAC NameN-[2-[3-cyano-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]ethyl]acetamide;5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-2-hydroxy-1-methyl-6-oxo-4-(4-oxo-3H-quinazolin-2-yl)pyridine-3-carboxylic acid;5-[[2-(4,6-diamino-1,3,5-triazin-2-yl)-1,2,4-triazol-3-yl]diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile;2-hydroxy-4-methyl-5-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]-6-oxo-1-pyrimidin-2-ylpyridine-3-carbonitrile;methyl 5-[[4-cyano-1-[6-(hydroxymethyl)pyrimidin-4-yl]pyrazol-5-yl]diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridin-4-ylpyridine-3-carboxylate
SMILESCC(=O)NCCn1c(O)c(C#N)c(C)c(/N=N/c2c(C#N)cnn2-c2ncccn2)c1=O.COC(=O)c1c(C)c(/N=N/c2c(C#N)cnn2-c2cc(CO)ncn2)c(=O)n(-c2ccncc2)c1O.Cc1c(C#N)c(O)n(C)c(=O)c1/N=N/c1ncnn1-c1nc(N)nc(N)n1.Cc1nc(/N=N/c2c(C)c(C#N)c(O)n(-c3ncccn3)c2=O)n(-c2ncccn2)n1.Cn1c(O)c(C(=O)O)c(-c2nc3ccccc3c(=O)[nH]2)c(/N=N/c2c(C#N)cnn2-c2ccccn2)c1=O
InChIInChI=1S/C24H15N9O5.C22H17N9O5.C19H16N10O3.C18H13N11O2.C13H12N12O2/c1-32-22(35)17(24(37)38)16(19-28-14-7-3-2-6-13(14)21(34)29-19)18(23(32)36)30-31-20-12(10-25)11-27-33(20)15-8-4-5-9-26-15;1-12-17(22(35)36-2)20(33)30(15-3-5-24-6-4-15)21(34)18(12)28-29-19-13(8-23)9-27-31(19)16-7-14(10-32)25-11-26-16;1-11-14(9-21)17(31)28(7-6-22-12(2)30)18(32)15(11)26-27-16-13(8-20)10-25-29(16)19-23-4-3-5-24-19;1-10-12(9-19)14(30)28(16-20-5-3-6-21-16)15(31)13(10)25-26-18-24-11(2)27-29(18)17-22-7-4-8-23-17;1-5-6(3-14)8(26)24(2)9(27)7(5)22-23-12-17-4-18-25(12)13-20-10(15)19-11(16)21-13/h2-9,11,35H,1H3,(H,37,38)(H,28,29,34);3-7,9,11,32-33H,10H2,1-2H3;3-5,10,31H,6-7H2,1-2H3,(H,22,30);3-8,30H,1-2H3;4,26H,1-2H3,(H4,15,16,19,20,21)/b31-30+;29-28+;27-26+;26-25+;23-22+
InChIKeySYVVEKGNDYUVJR-UYRZNRAGSA-N
XLogP6.71
TPSA970.66 Ų
H-Bond Donors11
H-Bond Acceptors65
Rotatable Bonds24
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002212.98
LogP ≤ 56.71
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1065

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze N-[2-[3-cyano-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]ethyl]acetamide;5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-2-hydroxy-1-methyl-6-oxo-4-(4-oxo-3H-quinazolin-2-yl)pyridine-3-carboxylic acid;5-[[2-(4,6-diamino-1,3,5-triazin-2-yl)-1,2,4-triazol-3-yl]diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile;2-hydroxy-4-methyl-5-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]-6-oxo-1-pyrimidin-2-ylpyridine-3-carbonitrile;methyl 5-[[4-cyano-1-[6-(hydroxymethyl)pyrimidin-4-yl]pyrazol-5-yl]diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridin-4-ylpyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 157235957
CID 157235957
N-[4-[(5-acetyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;1-amino-2-methylpropan-2-ol;[4-[[2-(ethylamino)-4-pyridinyl]amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol;1-[[4-[[2-(ethylamino)-4-pyridinyl]amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]-2-methylpropan-2-ol;2-N-ethyl-4-N-(5-ethyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)pyridine-2,4-diamine;N-[4-[[5-(hydroxymethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide
CID 157697833
CID 157748523
CID 157748523
4-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide;2-[5-[6-[[4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carbonyl]amino]-2-pyridinyl]tetrazol-1-yl]propyl acetate;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid
CID 157777646
CID 157794182
CID 157794182
N,N-dimethyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;2-(methylamino)-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone;7-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;1-(3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl)ethanone;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 157968735
carbon dioxide;2-(chloromethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]quinazolin-4-amine;2-ethyl-4H-pyrazolo[1,5-a]quinazolin-5-one;2-(hydroxymethyl)-4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-one;2-(hydroxymethyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 158497098
2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;butyl 4-(4-tert-butylimidazol-1-yl)-5-methylpyridine-2-carboxylate;4-(4-tert-butylimidazol-1-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide;4-(4-tert-butylimidazol-1-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide
CID 159677370
(2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;butyl 4-(4-tert-butylimidazol-1-yl)-5-methylpyridine-2-carboxylate;bis(4-(4-tert-butylimidazol-1-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide)
CID 159677371
Ethyl 4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]-5-oxopyrazolo[1,5-a]quinazoline-2-carboxylate;4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]-5-oxopyrazolo[1,5-a]quinazoline-2-carboxylic acid
CID 159708682
CID 159763504
CID 159763504
CID 160612633
CID 160612633

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-cyano-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]ethyl]acetamide;5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-2-hydroxy-1-methyl-6-oxo-4-(4-oxo-3H-quinazolin-2-yl)pyridine-3-carboxylic acid;5-[[2-(4,6-diamino-1,3,5-triazin-2-yl)-1,2,4-triazol-3-yl]diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile;2-hydroxy-4-methyl-5-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]-6-oxo-1-pyrimidin-2-ylpyridine-3-carbonitrile;methyl 5-[[4-cyano-1-[6-(hydroxymethyl)pyrimidin-4-yl]pyrazol-5-yl]diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridin-4-ylpyridine-3-carboxylate?
The IUPAC name of N-[2-[3-cyano-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]ethyl]acetamide;5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-2-hydroxy-1-methyl-6-oxo-4-(4-oxo-3H-quinazolin-2-yl)pyridine-3-carboxylic acid;5-[[2-(4,6-diamino-1,3,5-triazin-2-yl)-1,2,4-triazol-3-yl]diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile;2-hydroxy-4-methyl-5-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]-6-oxo-1-pyrimidin-2-ylpyridine-3-carbonitrile;methyl 5-[[4-cyano-1-[6-(hydroxymethyl)pyrimidin-4-yl]pyrazol-5-yl]diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridin-4-ylpyridine-3-carboxylate (CID 160543202) is N-[2-[3-cyano-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]ethyl]acetamide;5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-2-hydroxy-1-methyl-6-oxo-4-(4-oxo-3H-quinazolin-2-yl)pyridine-3-carboxylic acid;5-[[2-(4,6-diamino-1,3,5-triazin-2-yl)-1,2,4-triazol-3-yl]diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile;2-hydroxy-4-methyl-5-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]-6-oxo-1-pyrimidin-2-ylpyridine-3-carbonitrile;methyl 5-[[4-cyano-1-[6-(hydroxymethyl)pyrimidin-4-yl]pyrazol-5-yl]diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridin-4-ylpyridine-3-carboxylate.
What is the SMILES notation for N-[2-[3-cyano-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]ethyl]acetamide;5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-2-hydroxy-1-methyl-6-oxo-4-(4-oxo-3H-quinazolin-2-yl)pyridine-3-carboxylic acid;5-[[2-(4,6-diamino-1,3,5-triazin-2-yl)-1,2,4-triazol-3-yl]diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile;2-hydroxy-4-methyl-5-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]-6-oxo-1-pyrimidin-2-ylpyridine-3-carbonitrile;methyl 5-[[4-cyano-1-[6-(hydroxymethyl)pyrimidin-4-yl]pyrazol-5-yl]diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridin-4-ylpyridine-3-carboxylate?
The canonical SMILES for N-[2-[3-cyano-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]ethyl]acetamide;5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-2-hydroxy-1-methyl-6-oxo-4-(4-oxo-3H-quinazolin-2-yl)pyridine-3-carboxylic acid;5-[[2-(4,6-diamino-1,3,5-triazin-2-yl)-1,2,4-triazol-3-yl]diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile;2-hydroxy-4-methyl-5-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]-6-oxo-1-pyrimidin-2-ylpyridine-3-carbonitrile;methyl 5-[[4-cyano-1-[6-(hydroxymethyl)pyrimidin-4-yl]pyrazol-5-yl]diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridin-4-ylpyridine-3-carboxylate is CC(=O)NCCn1c(O)c(C#N)c(C)c(/N=N/c2c(C#N)cnn2-c2ncccn2)c1=O.COC(=O)c1c(C)c(/N=N/c2c(C#N)cnn2-c2cc(CO)ncn2)c(=O)n(-c2ccncc2)c1O.Cc1c(C#N)c(O)n(C)c(=O)c1/N=N/c1ncnn1-c1nc(N)nc(N)n1.Cc1nc(/N=N/c2c(C)c(C#N)c(O)n(-c3ncccn3)c2=O)n(-c2ncccn2)n1.Cn1c(O)c(C(=O)O)c(-c2nc3ccccc3c(=O)[nH]2)c(/N=N/c2c(C#N)cnn2-c2ccccn2)c1=O.
What is the InChIKey of N-[2-[3-cyano-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]ethyl]acetamide;5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-2-hydroxy-1-methyl-6-oxo-4-(4-oxo-3H-quinazolin-2-yl)pyridine-3-carboxylic acid;5-[[2-(4,6-diamino-1,3,5-triazin-2-yl)-1,2,4-triazol-3-yl]diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile;2-hydroxy-4-methyl-5-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]-6-oxo-1-pyrimidin-2-ylpyridine-3-carbonitrile;methyl 5-[[4-cyano-1-[6-(hydroxymethyl)pyrimidin-4-yl]pyrazol-5-yl]diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridin-4-ylpyridine-3-carboxylate?
The InChIKey is SYVVEKGNDYUVJR-UYRZNRAGSA-N. The full InChI is InChI=1S/C24H15N9O5.C22H17N9O5.C19H16N10O3.C18H13N11O2.C13H12N12O2/c1-32-22(35)17(24(37)38)16(19-28-14-7-3-2-6-13(14)21(34)29-19)18(23(32)36)30-31-20-12(10-25)11-27-33(20)15-8-4-5-9-26-15;1-12-17(22(35)36-2)20(33)30(15-3-5-24-6-4-15)21(34)18(12)28-29-19-13(8-23)9-27-31(19)16-7-14(10-32)25-11-26-16;1-11-14(9-21)17(31)28(7-6-22-12(2)30)18(32)15(11)26-27-16-13(8-20)10-25-29(16)19-23-4-3-5-24-19;1-10-12(9-19)14(30)28(16-20-5-3-6-21-16)15(31)13(10)25-26-18-24-11(2)27-29(18)17-22-7-4-8-23-17;1-5-6(3-14)8(26)24(2)9(27)7(5)22-23-12-17-4-18-25(12)13-20-10(15)19-11(16)21-13/h2-9,11,35H,1H3,(H,37,38)(H,28,29,34);3-7,9,11,32-33H,10H2,1-2H3;3-5,10,31H,6-7H2,1-2H3,(H,22,30);3-8,30H,1-2H3;4,26H,1-2H3,(H4,15,16,19,20,21)/b31-30+;29-28+;27-26+;26-25+;23-22+.
What are the key properties of N-[2-[3-cyano-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]ethyl]acetamide;5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-2-hydroxy-1-methyl-6-oxo-4-(4-oxo-3H-quinazolin-2-yl)pyridine-3-carboxylic acid;5-[[2-(4,6-diamino-1,3,5-triazin-2-yl)-1,2,4-triazol-3-yl]diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile;2-hydroxy-4-methyl-5-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]-6-oxo-1-pyrimidin-2-ylpyridine-3-carbonitrile;methyl 5-[[4-cyano-1-[6-(hydroxymethyl)pyrimidin-4-yl]pyrazol-5-yl]diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridin-4-ylpyridine-3-carboxylate?
N-[2-[3-cyano-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]ethyl]acetamide;5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-2-hydroxy-1-methyl-6-oxo-4-(4-oxo-3H-quinazolin-2-yl)pyridine-3-carboxylic acid;5-[[2-(4,6-diamino-1,3,5-triazin-2-yl)-1,2,4-triazol-3-yl]diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile;2-hydroxy-4-methyl-5-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]-6-oxo-1-pyrimidin-2-ylpyridine-3-carbonitrile;methyl 5-[[4-cyano-1-[6-(hydroxymethyl)pyrimidin-4-yl]pyrazol-5-yl]diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridin-4-ylpyridine-3-carboxylate has a molecular weight of 2212.98 g/mol, XLogP of 6.71, 24 rotatable bonds, 11 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-cyano-5-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]ethyl]acetamide;5-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-2-hydroxy-1-methyl-6-oxo-4-(4-oxo-3H-quinazolin-2-yl)pyridine-3-carboxylic acid;5-[[2-(4,6-diamino-1,3,5-triazin-2-yl)-1,2,4-triazol-3-yl]diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile;2-hydroxy-4-methyl-5-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]-6-oxo-1-pyrimidin-2-ylpyridine-3-carbonitrile;methyl 5-[[4-cyano-1-[6-(hydroxymethyl)pyrimidin-4-yl]pyrazol-5-yl]diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridin-4-ylpyridine-3-carboxylate is sourced from PubChem (CID 160543202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).