potassium;7-acetyl-5-[(2-phenylphenyl)methyl]pyrido[2,3-b]pyrazin-8-one;3-chloropyrazine-2-carboxylic acid;1-(3-chloropyrazin-2-yl)butane-1,3-dione;1-(3-chloropyrazin-2-yl)-2-ethylidenebutane-1,3-dione;3-oxobutanoate;8-oxo-5-[(2-phenylphenyl)methyl]pyrido[2,3-b]pyrazine-7-carboxylic acid;(2-phenylphenyl)methanamine

C83H69Cl3KN13O14 — CID 158489366

IUPACpotassium;7-acetyl-5-[(2-phenylphenyl)methyl]pyrido[2,3-b]pyrazin-8-one;3-chloropyrazine-2-carboxylic acid;1-(3-chloropyrazin-2-yl)butane-1,3-dione;1-(3-chloropyrazin-2-yl)-2-ethylidenebutane-1,3-dione;3-oxobutanoate;8-oxo-5-[(2-phenylphenyl)methyl]pyrido[2,3-b]pyrazine-7-carboxylic acid;(2-phenylphenyl)methanamine
SMILESCC(=O)CC(=O)[O-].CC(=O)CC(=O)c1nccnc1Cl.CC(=O)c1cn(Cc2ccccc2-c2ccccc2)c2nccnc2c1=O.CC=C(C(C)=O)C(=O)c1nccnc1Cl.NCc1ccccc1-c1ccccc1.O=C(O)c1cn(Cc2ccccc2-c2ccccc2)c2nccnc2c1=O.O=C(O)c1nccnc1Cl.[K+]
InChIInChI=1S/C22H17N3O2.C21H15N3O3.C13H13N.C10H9ClN2O2.C8H7ClN2O2.C5H3ClN2O2.C4H6O3.K/c1-15(26)19-14-25(22-20(21(19)27)23-11-12-24-22)13-17-9-5-6-10-18(17)16-7-3-2-4-8-16;25-19-17(21(26)27)13-24(20-18(19)22-10-11-23-20)12-15-8-4-5-9-16(15)14-6-2-1-3-7-14;14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11;1-3-7(6(2)14)9(15)8-10(11)13-5-4-12-8;1-5(12)4-6(13)7-8(9)11-3-2-10-7;6-4-3(5(9)10)7-1-2-8-4;1-3(5)2-4(6)7;/h2-12,14H,13H2,1H3;1-11,13H,12H2,(H,26,27);1-9H,10,14H2;3-5H,1-2H3;2-3H,4H2,1H3;1-2H,(H,9,10);2H2,1H3,(H,6,7);/q;;;;;;;+1/p-1
InChIKeyHIMRVTACYKMFQD-UHFFFAOYSA-M
MW1618.00 g/mol
LogP9.41
Rot. Bonds19

About potassium;7-acetyl-5-[(2-phenylphenyl)methyl]pyrido[2,3-b]pyrazin-8-one;3-chloropyrazine-2-carboxylic acid;1-(3-chloropyrazin-2-yl)butane-1,3-dione;1-(3-chloropyrazin-2-yl)-2-ethylidenebutane-1,3-dione;3-oxobutanoate;8-oxo-5-[(2-phenylphenyl)methyl]pyrido[2,3-b]pyrazine-7-carboxylic acid;(2-phenylphenyl)methanamine

potassium;7-acetyl-5-[(2-phenylphenyl)methyl]pyrido[2,3-b]pyrazin-8-one;3-chloropyrazine-2-carboxylic acid;1-(3-chloropyrazin-2-yl)butane-1,3-dione;1-(3-chloropyrazin-2-yl)-2-ethylidenebutane-1,3-dione;3-oxobutanoate;8-oxo-5-[(2-phenylphenyl)methyl]pyrido[2,3-b]pyrazine-7-carboxylic acid;(2-phenylphenyl)methanamine (PubChem CID 158489366) has the molecular formula C83H69Cl3KN13O14 and a molecular weight of 1618.00 g/mol. Its IUPAC name is potassium;7-acetyl-5-[(2-phenylphenyl)methyl]pyrido[2,3-b]pyrazin-8-one;3-chloropyrazine-2-carboxylic acid;1-(3-chloropyrazin-2-yl)butane-1,3-dione;1-(3-chloropyrazin-2-yl)-2-ethylidenebutane-1,3-dione;3-oxobutanoate;8-oxo-5-[(2-phenylphenyl)methyl]pyrido[2,3-b]pyrazine-7-carboxylic acid;(2-phenylphenyl)methanamine.

Molecular Properties

Compound Namepotassium;7-acetyl-5-[(2-phenylphenyl)methyl]pyrido[2,3-b]pyrazin-8-one;3-chloropyrazine-2-carboxylic acid;1-(3-chloropyrazin-2-yl)butane-1,3-dione;1-(3-chloropyrazin-2-yl)-2-ethylidenebutane-1,3-dione;3-oxobutanoate;8-oxo-5-[(2-phenylphenyl)methyl]pyrido[2,3-b]pyrazine-7-carboxylic acid;(2-phenylphenyl)methanamine
PubChem CID158489366
Molecular FormulaC83H69Cl3KN13O14
Molecular Weight1618.00 g/mol
Exact Mass1615.38
IUPAC Namepotassium;7-acetyl-5-[(2-phenylphenyl)methyl]pyrido[2,3-b]pyrazin-8-one;3-chloropyrazine-2-carboxylic acid;1-(3-chloropyrazin-2-yl)butane-1,3-dione;1-(3-chloropyrazin-2-yl)-2-ethylidenebutane-1,3-dione;3-oxobutanoate;8-oxo-5-[(2-phenylphenyl)methyl]pyrido[2,3-b]pyrazine-7-carboxylic acid;(2-phenylphenyl)methanamine
SMILESCC(=O)CC(=O)[O-].CC(=O)CC(=O)c1nccnc1Cl.CC(=O)c1cn(Cc2ccccc2-c2ccccc2)c2nccnc2c1=O.CC=C(C(C)=O)C(=O)c1nccnc1Cl.NCc1ccccc1-c1ccccc1.O=C(O)c1cn(Cc2ccccc2-c2ccccc2)c2nccnc2c1=O.O=C(O)c1nccnc1Cl.[K+]
InChIInChI=1S/C22H17N3O2.C21H15N3O3.C13H13N.C10H9ClN2O2.C8H7ClN2O2.C5H3ClN2O2.C4H6O3.K/c1-15(26)19-14-25(22-20(21(19)27)23-11-12-24-22)13-17-9-5-6-10-18(17)16-7-3-2-4-8-16;25-19-17(21(26)27)13-24(20-18(19)22-10-11-23-20)12-15-8-4-5-9-16(15)14-6-2-1-3-7-14;14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11;1-3-7(6(2)14)9(15)8-10(11)13-5-4-12-8;1-5(12)4-6(13)7-8(9)11-3-2-10-7;6-4-3(5(9)10)7-1-2-8-4;1-3(5)2-4(6)7;/h2-12,14H,13H2,1H3;1-11,13H,12H2,(H,26,27);1-9H,10,14H2;3-5H,1-2H3;2-3H,4H2,1H3;1-2H,(H,9,10);2H2,1H3,(H,6,7);/q;;;;;;;+1/p-1
InChIKeyHIMRVTACYKMFQD-UHFFFAOYSA-M
XLogP9.41
TPSA416.07 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds19
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001618.00
LogP ≤ 59.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze potassium;7-acetyl-5-[(2-phenylphenyl)methyl]pyrido[2,3-b]pyrazin-8-one;3-chloropyrazine-2-carboxylic acid;1-(3-chloropyrazin-2-yl)butane-1,3-dione;1-(3-chloropyrazin-2-yl)-2-ethylidenebutane-1,3-dione;3-oxobutanoate;8-oxo-5-[(2-phenylphenyl)methyl]pyrido[2,3-b]pyrazine-7-carboxylic acid;(2-phenylphenyl)methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;7-acetyl-5-[(2-phenylphenyl)methyl]pyrido[2,3-b]pyrazin-8-one;3-chloropyrazine-2-carboxylic acid;1-(3-chloropyrazin-2-yl)butane-1,3-dione;1-(3-chloropyrazin-2-yl)-2-ethylidenebutane-1,3-dione;3-oxobutanoate;8-oxo-5-[(2-phenylphenyl)methyl]pyrido[2,3-b]pyrazine-7-carboxylic acid;(2-phenylphenyl)methanamine?
The IUPAC name of potassium;7-acetyl-5-[(2-phenylphenyl)methyl]pyrido[2,3-b]pyrazin-8-one;3-chloropyrazine-2-carboxylic acid;1-(3-chloropyrazin-2-yl)butane-1,3-dione;1-(3-chloropyrazin-2-yl)-2-ethylidenebutane-1,3-dione;3-oxobutanoate;8-oxo-5-[(2-phenylphenyl)methyl]pyrido[2,3-b]pyrazine-7-carboxylic acid;(2-phenylphenyl)methanamine (CID 158489366) is potassium;7-acetyl-5-[(2-phenylphenyl)methyl]pyrido[2,3-b]pyrazin-8-one;3-chloropyrazine-2-carboxylic acid;1-(3-chloropyrazin-2-yl)butane-1,3-dione;1-(3-chloropyrazin-2-yl)-2-ethylidenebutane-1,3-dione;3-oxobutanoate;8-oxo-5-[(2-phenylphenyl)methyl]pyrido[2,3-b]pyrazine-7-carboxylic acid;(2-phenylphenyl)methanamine.
What is the SMILES notation for potassium;7-acetyl-5-[(2-phenylphenyl)methyl]pyrido[2,3-b]pyrazin-8-one;3-chloropyrazine-2-carboxylic acid;1-(3-chloropyrazin-2-yl)butane-1,3-dione;1-(3-chloropyrazin-2-yl)-2-ethylidenebutane-1,3-dione;3-oxobutanoate;8-oxo-5-[(2-phenylphenyl)methyl]pyrido[2,3-b]pyrazine-7-carboxylic acid;(2-phenylphenyl)methanamine?
The canonical SMILES for potassium;7-acetyl-5-[(2-phenylphenyl)methyl]pyrido[2,3-b]pyrazin-8-one;3-chloropyrazine-2-carboxylic acid;1-(3-chloropyrazin-2-yl)butane-1,3-dione;1-(3-chloropyrazin-2-yl)-2-ethylidenebutane-1,3-dione;3-oxobutanoate;8-oxo-5-[(2-phenylphenyl)methyl]pyrido[2,3-b]pyrazine-7-carboxylic acid;(2-phenylphenyl)methanamine is CC(=O)CC(=O)[O-].CC(=O)CC(=O)c1nccnc1Cl.CC(=O)c1cn(Cc2ccccc2-c2ccccc2)c2nccnc2c1=O.CC=C(C(C)=O)C(=O)c1nccnc1Cl.NCc1ccccc1-c1ccccc1.O=C(O)c1cn(Cc2ccccc2-c2ccccc2)c2nccnc2c1=O.O=C(O)c1nccnc1Cl.[K+].
What is the InChIKey of potassium;7-acetyl-5-[(2-phenylphenyl)methyl]pyrido[2,3-b]pyrazin-8-one;3-chloropyrazine-2-carboxylic acid;1-(3-chloropyrazin-2-yl)butane-1,3-dione;1-(3-chloropyrazin-2-yl)-2-ethylidenebutane-1,3-dione;3-oxobutanoate;8-oxo-5-[(2-phenylphenyl)methyl]pyrido[2,3-b]pyrazine-7-carboxylic acid;(2-phenylphenyl)methanamine?
The InChIKey is HIMRVTACYKMFQD-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H17N3O2.C21H15N3O3.C13H13N.C10H9ClN2O2.C8H7ClN2O2.C5H3ClN2O2.C4H6O3.K/c1-15(26)19-14-25(22-20(21(19)27)23-11-12-24-22)13-17-9-5-6-10-18(17)16-7-3-2-4-8-16;25-19-17(21(26)27)13-24(20-18(19)22-10-11-23-20)12-15-8-4-5-9-16(15)14-6-2-1-3-7-14;14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11;1-3-7(6(2)14)9(15)8-10(11)13-5-4-12-8;1-5(12)4-6(13)7-8(9)11-3-2-10-7;6-4-3(5(9)10)7-1-2-8-4;1-3(5)2-4(6)7;/h2-12,14H,13H2,1H3;1-11,13H,12H2,(H,26,27);1-9H,10,14H2;3-5H,1-2H3;2-3H,4H2,1H3;1-2H,(H,9,10);2H2,1H3,(H,6,7);/q;;;;;;;+1/p-1.
What are the key properties of potassium;7-acetyl-5-[(2-phenylphenyl)methyl]pyrido[2,3-b]pyrazin-8-one;3-chloropyrazine-2-carboxylic acid;1-(3-chloropyrazin-2-yl)butane-1,3-dione;1-(3-chloropyrazin-2-yl)-2-ethylidenebutane-1,3-dione;3-oxobutanoate;8-oxo-5-[(2-phenylphenyl)methyl]pyrido[2,3-b]pyrazine-7-carboxylic acid;(2-phenylphenyl)methanamine?
potassium;7-acetyl-5-[(2-phenylphenyl)methyl]pyrido[2,3-b]pyrazin-8-one;3-chloropyrazine-2-carboxylic acid;1-(3-chloropyrazin-2-yl)butane-1,3-dione;1-(3-chloropyrazin-2-yl)-2-ethylidenebutane-1,3-dione;3-oxobutanoate;8-oxo-5-[(2-phenylphenyl)methyl]pyrido[2,3-b]pyrazine-7-carboxylic acid;(2-phenylphenyl)methanamine has a molecular weight of 1618.00 g/mol, XLogP of 9.41, 19 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;7-acetyl-5-[(2-phenylphenyl)methyl]pyrido[2,3-b]pyrazin-8-one;3-chloropyrazine-2-carboxylic acid;1-(3-chloropyrazin-2-yl)butane-1,3-dione;1-(3-chloropyrazin-2-yl)-2-ethylidenebutane-1,3-dione;3-oxobutanoate;8-oxo-5-[(2-phenylphenyl)methyl]pyrido[2,3-b]pyrazine-7-carboxylic acid;(2-phenylphenyl)methanamine is sourced from PubChem (CID 158489366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).