2-[[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-3-methyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-3-phenyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide

C107H93N37O15 — CID 161309883

IUPAC2-[[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-3-methyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-3-phenyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide
SMILESCOc1ccccc1NC(=O)C(/N=N/c1c(C#N)c(-c2ccccc2)nn1-c1ccccn1)C(C)=O.COc1ccccc1NC(=O)C(/N=N/c1c(C#N)c(C)nn1-c1ccccn1)C(C)=O.COc1ccccc1NC(=O)C(/N=N/c1c(C#N)cnn1-c1ccccn1)C(C)=O.COc1ccccc1NC(=O)C(/N=N/c1c(C#N)cnn1-c1nc(C)cc(C)n1)C(C)=O.COc1ccccc1NC(=O)C(/N=N/c1c(C#N)cnn1-c1ncccn1)C(C)=O
InChIInChI=1S/C26H21N7O3.C21H20N8O3.C21H19N7O3.C20H17N7O3.C19H16N8O3/c1-17(34)23(26(35)29-20-12-6-7-13-21(20)36-2)30-31-25-19(16-27)24(18-10-4-3-5-11-18)32-33(25)22-14-8-9-15-28-22;1-12-9-13(2)25-21(24-12)29-19(15(10-22)11-23-29)28-27-18(14(3)30)20(31)26-16-7-5-6-8-17(16)32-4;1-13-15(12-22)20(28(27-13)18-10-6-7-11-23-18)26-25-19(14(2)29)21(30)24-16-8-4-5-9-17(16)31-3;1-13(28)18(20(29)24-15-7-3-4-8-16(15)30-2)25-26-19-14(11-21)12-23-27(19)17-9-5-6-10-22-17;1-12(28)16(18(29)24-14-6-3-4-7-15(14)30-2)25-26-17-13(10-20)11-23-27(17)19-21-8-5-9-22-19/h3-15,23H,1-2H3,(H,29,35);5-9,11,18H,1-4H3,(H,26,31);4-11,19H,1-3H3,(H,24,30);3-10,12,18H,1-2H3,(H,24,29);3-9,11,16H,1-2H3,(H,24,29)/b31-30+;28-27+;3*26-25+
InChIKeyVISXVMKMIDZMRC-MROQNSMFSA-N
MW2137.16 g/mol
LogP15.52
Rot. Bonds36

About 2-[[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-3-methyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-3-phenyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide

2-[[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-3-methyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-3-phenyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide (PubChem CID 161309883) has the molecular formula C107H93N37O15 and a molecular weight of 2137.16 g/mol. Its IUPAC name is 2-[[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-3-methyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-3-phenyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide.

Molecular Properties

Compound Name2-[[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-3-methyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-3-phenyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide
PubChem CID161309883
Molecular FormulaC107H93N37O15
Molecular Weight2137.16 g/mol
Exact Mass2135.77
IUPAC Name2-[[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-3-methyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-3-phenyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide
SMILESCOc1ccccc1NC(=O)C(/N=N/c1c(C#N)c(-c2ccccc2)nn1-c1ccccn1)C(C)=O.COc1ccccc1NC(=O)C(/N=N/c1c(C#N)c(C)nn1-c1ccccn1)C(C)=O.COc1ccccc1NC(=O)C(/N=N/c1c(C#N)cnn1-c1ccccn1)C(C)=O.COc1ccccc1NC(=O)C(/N=N/c1c(C#N)cnn1-c1nc(C)cc(C)n1)C(C)=O.COc1ccccc1NC(=O)C(/N=N/c1c(C#N)cnn1-c1ncccn1)C(C)=O
InChIInChI=1S/C26H21N7O3.C21H20N8O3.C21H19N7O3.C20H17N7O3.C19H16N8O3/c1-17(34)23(26(35)29-20-12-6-7-13-21(20)36-2)30-31-25-19(16-27)24(18-10-4-3-5-11-18)32-33(25)22-14-8-9-15-28-22;1-12-9-13(2)25-21(24-12)29-19(15(10-22)11-23-29)28-27-18(14(3)30)20(31)26-16-7-5-6-8-17(16)32-4;1-13-15(12-22)20(28(27-13)18-10-6-7-11-23-18)26-25-19(14(2)29)21(30)24-16-8-4-5-9-17(16)31-3;1-13(28)18(20(29)24-15-7-3-4-8-16(15)30-2)25-26-19-14(11-21)12-23-27(19)17-9-5-6-10-22-17;1-12(28)16(18(29)24-14-6-3-4-7-15(14)30-2)25-26-17-13(10-20)11-23-27(17)19-21-8-5-9-22-19/h3-15,23H,1-2H3,(H,29,35);5-9,11,18H,1-4H3,(H,26,31);4-11,19H,1-3H3,(H,24,30);3-10,12,18H,1-2H3,(H,24,29);3-9,11,16H,1-2H3,(H,24,29)/b31-30+;28-27+;3*26-25+
InChIKeyVISXVMKMIDZMRC-MROQNSMFSA-N
XLogP15.52
TPSA698.88 Ų
H-Bond Donors5
H-Bond Acceptors47
Rotatable Bonds36
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002137.16
LogP ≤ 515.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

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

Analyze 2-[[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-3-methyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-3-phenyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide 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

8-(Dimethylamino)-3-(6-methoxy-4-methyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methoxy-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(3-methyl-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-3-carbonitrile;8-(dimethylamino)-8-phenyl-3-[5-(trifluoromethyl)-2-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one
CID 158131395
2-[(4-cyano-3-phenyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide
CID 58120878
2-[[4-cyano-1-[6-[4-cyano-5-[[1-(2-methoxyanilino)-1,3-dioxobutan-2-yl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]pyrazol-5-yl]diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide
CID 87726017
N-[1-[(3R)-1-[2-[[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-b]pyridin-1-yl]piperidin-1-yl]methyl]-3-oxopent-4-enoyl]piperidin-3-yl]-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]prop-2-enamide;1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-[[3-[4-(buta-1,3-dien-2-ylamino)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]methyl]pent-4-ene-1,3-dione
CID 123885542
2-acetyl-6-[4-cyano-1-[6-[4-cyano-5-[[1-(2-methoxyanilino)-1,3-dioxobutan-2-yl]diazenyl]pyrazol-1-yl]pyrimidin-4-yl]pyrazol-5-yl]imino-N-(2-methoxyphenyl)hexanamide
CID 143859502
N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[7-(1,3-dimethylpyrazol-4-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[7-(1,3-dimethylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[7-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[5-methyl-7-(1,3,5-trimethylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide
CID 157207316
CID 157310732
CID 157310732
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-ethyl-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(6-phenylpyridazin-3-yl)pyrazole-3-carboxamide
CID 157407811
N-[2-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenoxy]ethyl]-N-methyl-5-pyridazin-4-ylpentanamide;N-[2-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenoxy]ethyl]-N-methyl-5-pyridin-2-ylpentanamide;N-[2-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenoxy]ethyl]-N-methyl-5-pyridin-3-ylpentanamide;N-[2-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenoxy]ethyl]-N-methyl-5-pyridin-4-ylpentanamide;N-[2-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenoxy]ethyl]-N-methyl-5-pyrimidin-4-ylpentanamide;methane;3-[[4-[2-(methylamino)ethoxy]phenyl]methyl]pyrrolidine-2,5-dione
CID 157562252
cyclopropyl-[6-(1H-imidazol-2-ylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-pyridinyl]methanone;1-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-pyridinyl]propan-1-one;6-[[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]amino]pyridine-2-carbonitrile;6-[[4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]amino]pyridine-2-carbonitrile
CID 157817677
2-(3,5-Diphenylpyrazol-1-yl)-1-(4-pyridin-3-ylpiperazin-1-yl)ethanone;2-(3,5-diphenylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-2-[3-(3-methylphenyl)-5-phenylpyrazol-1-yl]ethanone;1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-2-[3-(3-methylphenyl)-5-phenylpyrazol-1-yl]ethanone;3-[1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-3-phenylpyrazol-5-yl]benzonitrile
CID 158087678
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(5-methyl-7-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-5-[[7-(1,3-dimethylpyrazol-4-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[7-(1,3-dimethylpyrazol-4-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-methoxy-2-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide;N-[4-methoxy-2-(4-methylpiperazin-1-yl)-5-[(7-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]phenyl]prop-2-enamide
CID 158130147

Frequently Asked Questions

What is the IUPAC name of 2-[[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-3-methyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-3-phenyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide?
The IUPAC name of 2-[[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-3-methyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-3-phenyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide (CID 161309883) is 2-[[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-3-methyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-3-phenyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide.
What is the SMILES notation for 2-[[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-3-methyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-3-phenyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide?
The canonical SMILES for 2-[[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-3-methyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-3-phenyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide is COc1ccccc1NC(=O)C(/N=N/c1c(C#N)c(-c2ccccc2)nn1-c1ccccn1)C(C)=O.COc1ccccc1NC(=O)C(/N=N/c1c(C#N)c(C)nn1-c1ccccn1)C(C)=O.COc1ccccc1NC(=O)C(/N=N/c1c(C#N)cnn1-c1ccccn1)C(C)=O.COc1ccccc1NC(=O)C(/N=N/c1c(C#N)cnn1-c1nc(C)cc(C)n1)C(C)=O.COc1ccccc1NC(=O)C(/N=N/c1c(C#N)cnn1-c1ncccn1)C(C)=O.
What is the InChIKey of 2-[[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-3-methyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-3-phenyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide?
The InChIKey is VISXVMKMIDZMRC-MROQNSMFSA-N. The full InChI is InChI=1S/C26H21N7O3.C21H20N8O3.C21H19N7O3.C20H17N7O3.C19H16N8O3/c1-17(34)23(26(35)29-20-12-6-7-13-21(20)36-2)30-31-25-19(16-27)24(18-10-4-3-5-11-18)32-33(25)22-14-8-9-15-28-22;1-12-9-13(2)25-21(24-12)29-19(15(10-22)11-23-29)28-27-18(14(3)30)20(31)26-16-7-5-6-8-17(16)32-4;1-13-15(12-22)20(28(27-13)18-10-6-7-11-23-18)26-25-19(14(2)29)21(30)24-16-8-4-5-9-17(16)31-3;1-13(28)18(20(29)24-15-7-3-4-8-16(15)30-2)25-26-19-14(11-21)12-23-27(19)17-9-5-6-10-22-17;1-12(28)16(18(29)24-14-6-3-4-7-15(14)30-2)25-26-17-13(10-20)11-23-27(17)19-21-8-5-9-22-19/h3-15,23H,1-2H3,(H,29,35);5-9,11,18H,1-4H3,(H,26,31);4-11,19H,1-3H3,(H,24,30);3-10,12,18H,1-2H3,(H,24,29);3-9,11,16H,1-2H3,(H,24,29)/b31-30+;28-27+;3*26-25+.
What are the key properties of 2-[[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-3-methyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-3-phenyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide?
2-[[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-3-methyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-3-phenyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide has a molecular weight of 2137.16 g/mol, XLogP of 15.52, 36 rotatable bonds, 5 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-3-methyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-3-phenyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide;2-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide is sourced from PubChem (CID 161309883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).