5-amino-1-butyl-3-methylpyrazole-4-carbonitrile;1-butyl-4-chloro-6-(2-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidine;N-(1-butyl-4-cyano-3-methylpyrazol-5-yl)-2-fluorobenzamide;1-butyl-6-(2-fluorophenyl)-3-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-butyl-6-(2-fluorophenyl)-3-methyl-N-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine;butylhydrazine;deuterium monohydride;ethanol;2-ethoxy-1,1-diisocyanoprop-1-ene;2-fluorobenzoyl chloride;hydrogen peroxide;methane;phosphoryl trichloride;pyridin-4-amine

C104H129Cl5F5N28O8P — CID 161028475

IUPAC5-amino-1-butyl-3-methylpyrazole-4-carbonitrile;1-butyl-4-chloro-6-(2-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidine;N-(1-butyl-4-cyano-3-methylpyrazol-5-yl)-2-fluorobenzamide;1-butyl-6-(2-fluorophenyl)-3-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-butyl-6-(2-fluorophenyl)-3-methyl-N-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine;butylhydrazine;deuterium monohydride;ethanol;2-ethoxy-1,1-diisocyanoprop-1-ene;2-fluorobenzoyl chloride;hydrogen peroxide;methane;phosphoryl trichloride;pyridin-4-amine
SMILESC.CCCCNN.CCCCn1nc(C)c(C#N)c1N.CCCCn1nc(C)c(C#N)c1NC(=O)c1ccccc1F.CCCCn1nc(C)c2c(=O)[nH]c(-c3ccccc3F)nc21.CCCCn1nc(C)c2c(Cl)nc(-c3ccccc3F)nc21.CCCCn1nc(C)c2c(Nc3ccncc3)nc(-c3ccccc3F)nc21.CCO.Nc1ccncc1.O=C(Cl)c1ccccc1F.O=P(Cl)(Cl)Cl.OO.[C-]#[N+]C([N+]#[C-])=C(C)OCC.[H][2H]
InChIInChI=1S/C21H21FN6.C16H16ClFN4.2C16H17FN4O.C9H14N4.C7H4ClFO.C7H8N2O.C5H6N2.C4H12N2.C2H6O.CH4.Cl3OP.H2O2.H2/c1-3-4-13-28-21-18(14(2)27-28)20(24-15-9-11-23-12-10-15)25-19(26-21)16-7-5-6-8-17(16)22;1-3-4-9-22-16-13(10(2)21-22)14(17)19-15(20-16)11-7-5-6-8-12(11)18;1-3-4-9-21-15-13(10(2)20-21)16(22)19-14(18-15)11-7-5-6-8-12(11)17;1-3-4-9-21-15(13(10-18)11(2)20-21)19-16(22)12-7-5-6-8-14(12)17;1-3-4-5-13-9(11)8(6-10)7(2)12-13;8-7(10)5-3-1-2-4-6(5)9;1-5-10-6(2)7(8-3)9-4;6-5-1-3-7-4-2-5;1-2-3-4-6-5;1-2-3;;1-5(2,3)4;1-2;/h5-12H,3-4,13H2,1-2H3,(H,23,24,25,26);5-8H,3-4,9H2,1-2H3;5-8H,3-4,9H2,1-2H3,(H,18,19,22);5-8H,3-4,9H2,1-2H3,(H,19,22);3-5,11H2,1-2H3;1-4H;5H2,1-2H3;1-4H,(H2,6,7);6H,2-5H2,1H3;3H,2H2,1H3;1H4;;1-2H;1H/i;;;;;;;;;;;;;1+1
InChIKeyTZHLBBHCPAVIAL-RKKUYXDDSA-N
MW2203.60 g/mol
LogP25.89
Rot. Bonds28

About 5-amino-1-butyl-3-methylpyrazole-4-carbonitrile;1-butyl-4-chloro-6-(2-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidine;N-(1-butyl-4-cyano-3-methylpyrazol-5-yl)-2-fluorobenzamide;1-butyl-6-(2-fluorophenyl)-3-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-butyl-6-(2-fluorophenyl)-3-methyl-N-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine;butylhydrazine;deuterium monohydride;ethanol;2-ethoxy-1,1-diisocyanoprop-1-ene;2-fluorobenzoyl chloride;hydrogen peroxide;methane;phosphoryl trichloride;pyridin-4-amine

5-amino-1-butyl-3-methylpyrazole-4-carbonitrile;1-butyl-4-chloro-6-(2-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidine;N-(1-butyl-4-cyano-3-methylpyrazol-5-yl)-2-fluorobenzamide;1-butyl-6-(2-fluorophenyl)-3-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-butyl-6-(2-fluorophenyl)-3-methyl-N-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine;butylhydrazine;deuterium monohydride;ethanol;2-ethoxy-1,1-diisocyanoprop-1-ene;2-fluorobenzoyl chloride;hydrogen peroxide;methane;phosphoryl trichloride;pyridin-4-amine (PubChem CID 161028475) has the molecular formula C104H129Cl5F5N28O8P and a molecular weight of 2203.60 g/mol. Its IUPAC name is 5-amino-1-butyl-3-methylpyrazole-4-carbonitrile;1-butyl-4-chloro-6-(2-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidine;N-(1-butyl-4-cyano-3-methylpyrazol-5-yl)-2-fluorobenzamide;1-butyl-6-(2-fluorophenyl)-3-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-butyl-6-(2-fluorophenyl)-3-methyl-N-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine;butylhydrazine;deuterium monohydride;ethanol;2-ethoxy-1,1-diisocyanoprop-1-ene;2-fluorobenzoyl chloride;hydrogen peroxide;methane;phosphoryl trichloride;pyridin-4-amine.

Molecular Properties

Compound Name5-amino-1-butyl-3-methylpyrazole-4-carbonitrile;1-butyl-4-chloro-6-(2-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidine;N-(1-butyl-4-cyano-3-methylpyrazol-5-yl)-2-fluorobenzamide;1-butyl-6-(2-fluorophenyl)-3-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-butyl-6-(2-fluorophenyl)-3-methyl-N-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine;butylhydrazine;deuterium monohydride;ethanol;2-ethoxy-1,1-diisocyanoprop-1-ene;2-fluorobenzoyl chloride;hydrogen peroxide;methane;phosphoryl trichloride;pyridin-4-amine
PubChem CID161028475
Molecular FormulaC104H129Cl5F5N28O8P
Molecular Weight2203.60 g/mol
Exact Mass2199.87
IUPAC Name5-amino-1-butyl-3-methylpyrazole-4-carbonitrile;1-butyl-4-chloro-6-(2-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidine;N-(1-butyl-4-cyano-3-methylpyrazol-5-yl)-2-fluorobenzamide;1-butyl-6-(2-fluorophenyl)-3-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-butyl-6-(2-fluorophenyl)-3-methyl-N-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine;butylhydrazine;deuterium monohydride;ethanol;2-ethoxy-1,1-diisocyanoprop-1-ene;2-fluorobenzoyl chloride;hydrogen peroxide;methane;phosphoryl trichloride;pyridin-4-amine
SMILESC.CCCCNN.CCCCn1nc(C)c(C#N)c1N.CCCCn1nc(C)c(C#N)c1NC(=O)c1ccccc1F.CCCCn1nc(C)c2c(=O)[nH]c(-c3ccccc3F)nc21.CCCCn1nc(C)c2c(Cl)nc(-c3ccccc3F)nc21.CCCCn1nc(C)c2c(Nc3ccncc3)nc(-c3ccccc3F)nc21.CCO.Nc1ccncc1.O=C(Cl)c1ccccc1F.O=P(Cl)(Cl)Cl.OO.[C-]#[N+]C([N+]#[C-])=C(C)OCC.[H][2H]
InChIInChI=1S/C21H21FN6.C16H16ClFN4.2C16H17FN4O.C9H14N4.C7H4ClFO.C7H8N2O.C5H6N2.C4H12N2.C2H6O.CH4.Cl3OP.H2O2.H2/c1-3-4-13-28-21-18(14(2)27-28)20(24-15-9-11-23-12-10-15)25-19(26-21)16-7-5-6-8-17(16)22;1-3-4-9-22-16-13(10(2)21-22)14(17)19-15(20-16)11-7-5-6-8-12(11)18;1-3-4-9-21-15-13(10(2)20-21)16(22)19-14(18-15)11-7-5-6-8-12(11)17;1-3-4-9-21-15(13(10-18)11(2)20-21)19-16(22)12-7-5-6-8-14(12)17;1-3-4-5-13-9(11)8(6-10)7(2)12-13;8-7(10)5-3-1-2-4-6(5)9;1-5-10-6(2)7(8-3)9-4;6-5-1-3-7-4-2-5;1-2-3-4-6-5;1-2-3;;1-5(2,3)4;1-2;/h5-12H,3-4,13H2,1-2H3,(H,23,24,25,26);5-8H,3-4,9H2,1-2H3;5-8H,3-4,9H2,1-2H3,(H,18,19,22);5-8H,3-4,9H2,1-2H3,(H,19,22);3-5,11H2,1-2H3;1-4H;5H2,1-2H3;1-4H,(H2,6,7);6H,2-5H2,1H3;3H,2H2,1H3;1H4;;1-2H;1H/i;;;;;;;;;;;;;1+1
InChIKeyTZHLBBHCPAVIAL-RKKUYXDDSA-N
XLogP25.89
TPSA503.77 Ų
H-Bond Donors10
H-Bond Acceptors32
Rotatable Bonds28
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002203.60
LogP ≤ 525.89
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze 5-amino-1-butyl-3-methylpyrazole-4-carbonitrile;1-butyl-4-chloro-6-(2-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidine;N-(1-butyl-4-cyano-3-methylpyrazol-5-yl)-2-fluorobenzamide;1-butyl-6-(2-fluorophenyl)-3-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-butyl-6-(2-fluorophenyl)-3-methyl-N-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine;butylhydrazine;deuterium monohydride;ethanol;2-ethoxy-1,1-diisocyanoprop-1-ene;2-fluorobenzoyl chloride;hydrogen peroxide;methane;phosphoryl trichloride;pyridin-4-amine with MolForge

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Related Compounds

N-butyl-4-(3-chlorophenyl)-5-oxo-3,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene-10-carboxamide;4-(3-chlorophenyl)-N-ethyl-5-oxo-3,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene-10-carboxamide;N-ethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-3,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene-10-carboxamide;5-oxo-N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-3,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene-10-carboxamide
CID 157722016
lithium;tetrakis(carbon dioxide);4-chloro-5-ethyl-1-(4-iodophenyl)-3-methylpyrazolo[3,4-b]pyridine;4-chloro-1-(4-iodophenyl)-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-iodophenyl)-3-methylpyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-2-(4-iodophenyl)-5-methylpyrazol-3-amine;(4-iodophenyl)hydrazine;2-(4-iodophenyl)-5-methylpyrazol-3-amine;3-oxobutanenitrile;phosphoryl trichloride;hydroxide
CID 157108029
lithium;tetrakis(carbon dioxide);4-chloro-5-ethyl-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine;4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-2-(4-fluorophenyl)-5-methylpyrazol-3-amine;(4-fluorophenyl)hydrazine;2-(4-fluorophenyl)-5-methylpyrazol-3-amine;methane;3-oxobutanenitrile;phosphoryl trichloride;hydroxide
CID 157117393
lithium;tetrakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-5-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine;4-chloro-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-5-methyl-2-(4-methylphenyl)pyrazol-3-amine;methane;5-methyl-2-(4-methylphenyl)pyrazol-3-amine;(4-methylphenyl)hydrazine;3-oxobutanenitrile;phosphoryl trichloride;hydroxide
CID 157625564
lithium;pentakis(carbon dioxide);4-chloro-N-(4-chlorophenyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-5-ethyl-3-methyl-1-phenylpyrazolo[3,4-b]pyridine;4-chloro-1-phenylpyrazolo[3,4-b]pyridine;N-(2-ethylbut-1-enyl)-2-phenylpyrazol-3-amine;ethyl (E)-2-ethylbut-2-enoate;2-phenylpyrazol-3-amine;phosphoryl trichloride;hydroxide
CID 158814812
acetic acid;7-chloro-5-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine;ethyl 3-(2-fluorophenyl)-3-oxopropanoate;5-(2-fluorophenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-(2-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;4H-imidazol-2-amine;phosphoryl trichloride;pyridin-4-amine
CID 159196909
N-butyl-4-(4-chloro-2-fluorophenyl)-5-oxo-3,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene-10-carboxamide;N-butyl-4-(2-fluorophenyl)-5-oxo-3,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene-10-carboxamide;4-(2,4-difluorophenyl)-N-(2-methylpropyl)-5-oxo-3,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene-10-carboxamide;N-ethyl-4-(2-fluorophenyl)-5-oxo-3,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene-10-carboxamide
CID 159322925
sodium;5-amino-1,3-dimethylpyrazole-4-carbonitrile;4-chloro-6-(2-fluorophenyl)-1,3-dimethylpyrazolo[5,4-d]pyrimidine;N-(4-cyano-1,3-dimethylpyrazol-5-yl)-2-fluorobenzamide;ethanamine;ethanol;2-ethoxy-1,1-diisocyanoprop-1-ene;2-fluorobenzoyl chloride;6-(2-fluorophenyl)-1,3-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-fluorophenyl)-1,3-dimethyl-N-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrogen peroxide;hydroxyazanide;phosphoryl trichloride;pyridin-4-amine
CID 159693954
lithium;tetrakis(carbon dioxide);4-chloro-N,1-bis(4-chlorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-chlorophenyl)-5-ethyl-3-methylpyrazolo[3,4-b]pyridine;4-chloro-1-(4-chlorophenyl)-3-methylpyrazolo[3,4-b]pyridine;2-(4-chlorophenyl)-N-(2-ethylbut-1-enyl)-5-methylpyrazol-3-amine;(4-chlorophenyl)hydrazine;2-(4-chlorophenyl)-5-methylpyrazol-3-amine;methane;3-oxobutanenitrile;phosphoryl trichloride;hydroxide
CID 161306681
5-amino-1-butyl-3-methylpyrazole-4-carbonitrile;1-butyl-4-chloro-6-(2-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidine;N-(1-butyl-4-cyano-3-methylpyrazol-5-yl)-2-fluorobenzamide;1-butyl-6-(2-fluorophenyl)-3-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-butyl-6-(2-fluorophenyl)-3-methyl-N-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine;butylhydrazine;deuterium monohydride;ethanol;2-ethoxy-1,1-diisocyanoprop-1-ene;2-fluorobenzoyl chloride;hydrogen peroxide;phosphoryl trichloride;pyridin-4-amine
CID 161422743
5-amino-1,3-dimethylpyrazole-4-carbonitrile;4-chloro-6-(2-fluorophenyl)-1,3-dimethylpyrazolo[5,4-d]pyrimidine;N-(4-cyano-1,3-dimethylpyrazol-5-yl)-2-fluorobenzamide;ethanol;2-ethoxy-1,1-diisocyanoprop-1-ene;2-fluorobenzoyl chloride;6-(2-fluorophenyl)-1,3-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-fluorophenyl)-1,3-dimethyl-N-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrogen peroxide;methylhydrazine;phosphoryl trichloride;pyridin-4-amine
CID 162051868
acetic acid;7-chloro-5-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine;ethyl 3-(2-fluorophenyl)-3-oxopropanoate;5-(2-fluorophenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-(2-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;phosphoryl trichloride;pyridin-4-amine;1H-1,2,4-triazol-5-amine
CID 162235261

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-butyl-3-methylpyrazole-4-carbonitrile;1-butyl-4-chloro-6-(2-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidine;N-(1-butyl-4-cyano-3-methylpyrazol-5-yl)-2-fluorobenzamide;1-butyl-6-(2-fluorophenyl)-3-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-butyl-6-(2-fluorophenyl)-3-methyl-N-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine;butylhydrazine;deuterium monohydride;ethanol;2-ethoxy-1,1-diisocyanoprop-1-ene;2-fluorobenzoyl chloride;hydrogen peroxide;methane;phosphoryl trichloride;pyridin-4-amine?
The IUPAC name of 5-amino-1-butyl-3-methylpyrazole-4-carbonitrile;1-butyl-4-chloro-6-(2-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidine;N-(1-butyl-4-cyano-3-methylpyrazol-5-yl)-2-fluorobenzamide;1-butyl-6-(2-fluorophenyl)-3-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-butyl-6-(2-fluorophenyl)-3-methyl-N-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine;butylhydrazine;deuterium monohydride;ethanol;2-ethoxy-1,1-diisocyanoprop-1-ene;2-fluorobenzoyl chloride;hydrogen peroxide;methane;phosphoryl trichloride;pyridin-4-amine (CID 161028475) is 5-amino-1-butyl-3-methylpyrazole-4-carbonitrile;1-butyl-4-chloro-6-(2-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidine;N-(1-butyl-4-cyano-3-methylpyrazol-5-yl)-2-fluorobenzamide;1-butyl-6-(2-fluorophenyl)-3-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-butyl-6-(2-fluorophenyl)-3-methyl-N-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine;butylhydrazine;deuterium monohydride;ethanol;2-ethoxy-1,1-diisocyanoprop-1-ene;2-fluorobenzoyl chloride;hydrogen peroxide;methane;phosphoryl trichloride;pyridin-4-amine.
What is the SMILES notation for 5-amino-1-butyl-3-methylpyrazole-4-carbonitrile;1-butyl-4-chloro-6-(2-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidine;N-(1-butyl-4-cyano-3-methylpyrazol-5-yl)-2-fluorobenzamide;1-butyl-6-(2-fluorophenyl)-3-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-butyl-6-(2-fluorophenyl)-3-methyl-N-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine;butylhydrazine;deuterium monohydride;ethanol;2-ethoxy-1,1-diisocyanoprop-1-ene;2-fluorobenzoyl chloride;hydrogen peroxide;methane;phosphoryl trichloride;pyridin-4-amine?
The canonical SMILES for 5-amino-1-butyl-3-methylpyrazole-4-carbonitrile;1-butyl-4-chloro-6-(2-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidine;N-(1-butyl-4-cyano-3-methylpyrazol-5-yl)-2-fluorobenzamide;1-butyl-6-(2-fluorophenyl)-3-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-butyl-6-(2-fluorophenyl)-3-methyl-N-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine;butylhydrazine;deuterium monohydride;ethanol;2-ethoxy-1,1-diisocyanoprop-1-ene;2-fluorobenzoyl chloride;hydrogen peroxide;methane;phosphoryl trichloride;pyridin-4-amine is C.CCCCNN.CCCCn1nc(C)c(C#N)c1N.CCCCn1nc(C)c(C#N)c1NC(=O)c1ccccc1F.CCCCn1nc(C)c2c(=O)[nH]c(-c3ccccc3F)nc21.CCCCn1nc(C)c2c(Cl)nc(-c3ccccc3F)nc21.CCCCn1nc(C)c2c(Nc3ccncc3)nc(-c3ccccc3F)nc21.CCO.Nc1ccncc1.O=C(Cl)c1ccccc1F.O=P(Cl)(Cl)Cl.OO.[C-]#[N+]C([N+]#[C-])=C(C)OCC.[H][2H].
What is the InChIKey of 5-amino-1-butyl-3-methylpyrazole-4-carbonitrile;1-butyl-4-chloro-6-(2-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidine;N-(1-butyl-4-cyano-3-methylpyrazol-5-yl)-2-fluorobenzamide;1-butyl-6-(2-fluorophenyl)-3-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-butyl-6-(2-fluorophenyl)-3-methyl-N-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine;butylhydrazine;deuterium monohydride;ethanol;2-ethoxy-1,1-diisocyanoprop-1-ene;2-fluorobenzoyl chloride;hydrogen peroxide;methane;phosphoryl trichloride;pyridin-4-amine?
The InChIKey is TZHLBBHCPAVIAL-RKKUYXDDSA-N. The full InChI is InChI=1S/C21H21FN6.C16H16ClFN4.2C16H17FN4O.C9H14N4.C7H4ClFO.C7H8N2O.C5H6N2.C4H12N2.C2H6O.CH4.Cl3OP.H2O2.H2/c1-3-4-13-28-21-18(14(2)27-28)20(24-15-9-11-23-12-10-15)25-19(26-21)16-7-5-6-8-17(16)22;1-3-4-9-22-16-13(10(2)21-22)14(17)19-15(20-16)11-7-5-6-8-12(11)18;1-3-4-9-21-15-13(10(2)20-21)16(22)19-14(18-15)11-7-5-6-8-12(11)17;1-3-4-9-21-15(13(10-18)11(2)20-21)19-16(22)12-7-5-6-8-14(12)17;1-3-4-5-13-9(11)8(6-10)7(2)12-13;8-7(10)5-3-1-2-4-6(5)9;1-5-10-6(2)7(8-3)9-4;6-5-1-3-7-4-2-5;1-2-3-4-6-5;1-2-3;;1-5(2,3)4;1-2;/h5-12H,3-4,13H2,1-2H3,(H,23,24,25,26);5-8H,3-4,9H2,1-2H3;5-8H,3-4,9H2,1-2H3,(H,18,19,22);5-8H,3-4,9H2,1-2H3,(H,19,22);3-5,11H2,1-2H3;1-4H;5H2,1-2H3;1-4H,(H2,6,7);6H,2-5H2,1H3;3H,2H2,1H3;1H4;;1-2H;1H/i;;;;;;;;;;;;;1+1.
What are the key properties of 5-amino-1-butyl-3-methylpyrazole-4-carbonitrile;1-butyl-4-chloro-6-(2-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidine;N-(1-butyl-4-cyano-3-methylpyrazol-5-yl)-2-fluorobenzamide;1-butyl-6-(2-fluorophenyl)-3-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-butyl-6-(2-fluorophenyl)-3-methyl-N-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine;butylhydrazine;deuterium monohydride;ethanol;2-ethoxy-1,1-diisocyanoprop-1-ene;2-fluorobenzoyl chloride;hydrogen peroxide;methane;phosphoryl trichloride;pyridin-4-amine?
5-amino-1-butyl-3-methylpyrazole-4-carbonitrile;1-butyl-4-chloro-6-(2-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidine;N-(1-butyl-4-cyano-3-methylpyrazol-5-yl)-2-fluorobenzamide;1-butyl-6-(2-fluorophenyl)-3-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-butyl-6-(2-fluorophenyl)-3-methyl-N-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine;butylhydrazine;deuterium monohydride;ethanol;2-ethoxy-1,1-diisocyanoprop-1-ene;2-fluorobenzoyl chloride;hydrogen peroxide;methane;phosphoryl trichloride;pyridin-4-amine has a molecular weight of 2203.60 g/mol, XLogP of 25.89, 28 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-butyl-3-methylpyrazole-4-carbonitrile;1-butyl-4-chloro-6-(2-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidine;N-(1-butyl-4-cyano-3-methylpyrazol-5-yl)-2-fluorobenzamide;1-butyl-6-(2-fluorophenyl)-3-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-butyl-6-(2-fluorophenyl)-3-methyl-N-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine;butylhydrazine;deuterium monohydride;ethanol;2-ethoxy-1,1-diisocyanoprop-1-ene;2-fluorobenzoyl chloride;hydrogen peroxide;methane;phosphoryl trichloride;pyridin-4-amine is sourced from PubChem (CID 161028475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).