2-amino-6-bromo-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-(4-imidazol-1-ylanilino)-4-methylpyrido[2,3-d]pyrimidin-7-one;2,6-dibromo-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-(4-imidazol-1-ylanilino)-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one;4-imidazol-1-ylaniline;1H-pyrazol-5-ylboronic acid

C73H71BBr4N26O6 — CID 158313133

IUPAC2-amino-6-bromo-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-(4-imidazol-1-ylanilino)-4-methylpyrido[2,3-d]pyrimidin-7-one;2,6-dibromo-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-(4-imidazol-1-ylanilino)-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one;4-imidazol-1-ylaniline;1H-pyrazol-5-ylboronic acid
SMILESCCn1c(=O)c(-c2ccn[nH]2)cc2c(C)nc(Nc3ccc(-n4ccnc4)cc3)nc21.CCn1c(=O)c(Br)cc2c(C)nc(Br)nc21.CCn1c(=O)c(Br)cc2c(C)nc(N)nc21.CCn1c(=O)c(Br)cc2c(C)nc(Nc3ccc(-n4ccnc4)cc3)nc21.Nc1ccc(-n2ccnc2)cc1.OB(O)c1ccn[nH]1
InChIInChI=1S/C22H20N8O.C19H17BrN6O.C10H9Br2N3O.C10H11BrN4O.C9H9N3.C3H5BN2O2/c1-3-30-20-17(12-18(21(30)31)19-8-9-24-28-19)14(2)25-22(27-20)26-15-4-6-16(7-5-15)29-11-10-23-13-29;1-3-26-17-15(10-16(20)18(26)27)12(2)22-19(24-17)23-13-4-6-14(7-5-13)25-9-8-21-11-25;2*1-3-15-8-6(4-7(11)9(15)16)5(2)13-10(12)14-8;10-8-1-3-9(4-2-8)12-6-5-11-7-12;7-4(8)3-1-2-5-6-3/h4-13H,3H2,1-2H3,(H,24,28)(H,25,26,27);4-11H,3H2,1-2H3,(H,22,23,24);4H,3H2,1-2H3;4H,3H2,1-2H3,(H2,12,13,14);1-7H,10H2;1-2,7-8H,(H,5,6)
InChIKeyGNXOXCQOMDOBMS-UHFFFAOYSA-N
MW1738.97 g/mol
LogP10.90
Rot. Bonds13

About 2-amino-6-bromo-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-(4-imidazol-1-ylanilino)-4-methylpyrido[2,3-d]pyrimidin-7-one;2,6-dibromo-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-(4-imidazol-1-ylanilino)-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one;4-imidazol-1-ylaniline;1H-pyrazol-5-ylboronic acid

2-amino-6-bromo-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-(4-imidazol-1-ylanilino)-4-methylpyrido[2,3-d]pyrimidin-7-one;2,6-dibromo-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-(4-imidazol-1-ylanilino)-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one;4-imidazol-1-ylaniline;1H-pyrazol-5-ylboronic acid (PubChem CID 158313133) has the molecular formula C73H71BBr4N26O6 and a molecular weight of 1738.97 g/mol. Its IUPAC name is 2-amino-6-bromo-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-(4-imidazol-1-ylanilino)-4-methylpyrido[2,3-d]pyrimidin-7-one;2,6-dibromo-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-(4-imidazol-1-ylanilino)-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one;4-imidazol-1-ylaniline;1H-pyrazol-5-ylboronic acid.

Molecular Properties

Compound Name2-amino-6-bromo-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-(4-imidazol-1-ylanilino)-4-methylpyrido[2,3-d]pyrimidin-7-one;2,6-dibromo-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-(4-imidazol-1-ylanilino)-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one;4-imidazol-1-ylaniline;1H-pyrazol-5-ylboronic acid
PubChem CID158313133
Molecular FormulaC73H71BBr4N26O6
Molecular Weight1738.97 g/mol
Exact Mass1734.29
IUPAC Name2-amino-6-bromo-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-(4-imidazol-1-ylanilino)-4-methylpyrido[2,3-d]pyrimidin-7-one;2,6-dibromo-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-(4-imidazol-1-ylanilino)-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one;4-imidazol-1-ylaniline;1H-pyrazol-5-ylboronic acid
SMILESCCn1c(=O)c(-c2ccn[nH]2)cc2c(C)nc(Nc3ccc(-n4ccnc4)cc3)nc21.CCn1c(=O)c(Br)cc2c(C)nc(Br)nc21.CCn1c(=O)c(Br)cc2c(C)nc(N)nc21.CCn1c(=O)c(Br)cc2c(C)nc(Nc3ccc(-n4ccnc4)cc3)nc21.Nc1ccc(-n2ccnc2)cc1.OB(O)c1ccn[nH]1
InChIInChI=1S/C22H20N8O.C19H17BrN6O.C10H9Br2N3O.C10H11BrN4O.C9H9N3.C3H5BN2O2/c1-3-30-20-17(12-18(21(30)31)19-8-9-24-28-19)14(2)25-22(27-20)26-15-4-6-16(7-5-15)29-11-10-23-13-29;1-3-26-17-15(10-16(20)18(26)27)12(2)22-19(24-17)23-13-4-6-14(7-5-13)25-9-8-21-11-25;2*1-3-15-8-6(4-7(11)9(15)16)5(2)13-10(12)14-8;10-8-1-3-9(4-2-8)12-6-5-11-7-12;7-4(8)3-1-2-5-6-3/h4-13H,3H2,1-2H3,(H,24,28)(H,25,26,27);4-11H,3H2,1-2H3,(H,22,23,24);4H,3H2,1-2H3;4H,3H2,1-2H3,(H2,12,13,14);1-7H,10H2;1-2,7-8H,(H,5,6)
InChIKeyGNXOXCQOMDOBMS-UHFFFAOYSA-N
XLogP10.90
TPSA418.50 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds13
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001738.97
LogP ≤ 510.90
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-amino-6-bromo-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-(4-imidazol-1-ylanilino)-4-methylpyrido[2,3-d]pyrimidin-7-one;2,6-dibromo-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-(4-imidazol-1-ylanilino)-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one;4-imidazol-1-ylaniline;1H-pyrazol-5-ylboronic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-bromo-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-(4-imidazol-1-ylanilino)-4-methylpyrido[2,3-d]pyrimidin-7-one;2,6-dibromo-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-(4-imidazol-1-ylanilino)-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one;4-imidazol-1-ylaniline;1H-pyrazol-5-ylboronic acid?
The IUPAC name of 2-amino-6-bromo-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-(4-imidazol-1-ylanilino)-4-methylpyrido[2,3-d]pyrimidin-7-one;2,6-dibromo-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-(4-imidazol-1-ylanilino)-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one;4-imidazol-1-ylaniline;1H-pyrazol-5-ylboronic acid (CID 158313133) is 2-amino-6-bromo-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-(4-imidazol-1-ylanilino)-4-methylpyrido[2,3-d]pyrimidin-7-one;2,6-dibromo-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-(4-imidazol-1-ylanilino)-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one;4-imidazol-1-ylaniline;1H-pyrazol-5-ylboronic acid.
What is the SMILES notation for 2-amino-6-bromo-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-(4-imidazol-1-ylanilino)-4-methylpyrido[2,3-d]pyrimidin-7-one;2,6-dibromo-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-(4-imidazol-1-ylanilino)-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one;4-imidazol-1-ylaniline;1H-pyrazol-5-ylboronic acid?
The canonical SMILES for 2-amino-6-bromo-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-(4-imidazol-1-ylanilino)-4-methylpyrido[2,3-d]pyrimidin-7-one;2,6-dibromo-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-(4-imidazol-1-ylanilino)-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one;4-imidazol-1-ylaniline;1H-pyrazol-5-ylboronic acid is CCn1c(=O)c(-c2ccn[nH]2)cc2c(C)nc(Nc3ccc(-n4ccnc4)cc3)nc21.CCn1c(=O)c(Br)cc2c(C)nc(Br)nc21.CCn1c(=O)c(Br)cc2c(C)nc(N)nc21.CCn1c(=O)c(Br)cc2c(C)nc(Nc3ccc(-n4ccnc4)cc3)nc21.Nc1ccc(-n2ccnc2)cc1.OB(O)c1ccn[nH]1.
What is the InChIKey of 2-amino-6-bromo-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-(4-imidazol-1-ylanilino)-4-methylpyrido[2,3-d]pyrimidin-7-one;2,6-dibromo-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-(4-imidazol-1-ylanilino)-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one;4-imidazol-1-ylaniline;1H-pyrazol-5-ylboronic acid?
The InChIKey is GNXOXCQOMDOBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8O.C19H17BrN6O.C10H9Br2N3O.C10H11BrN4O.C9H9N3.C3H5BN2O2/c1-3-30-20-17(12-18(21(30)31)19-8-9-24-28-19)14(2)25-22(27-20)26-15-4-6-16(7-5-15)29-11-10-23-13-29;1-3-26-17-15(10-16(20)18(26)27)12(2)22-19(24-17)23-13-4-6-14(7-5-13)25-9-8-21-11-25;2*1-3-15-8-6(4-7(11)9(15)16)5(2)13-10(12)14-8;10-8-1-3-9(4-2-8)12-6-5-11-7-12;7-4(8)3-1-2-5-6-3/h4-13H,3H2,1-2H3,(H,24,28)(H,25,26,27);4-11H,3H2,1-2H3,(H,22,23,24);4H,3H2,1-2H3;4H,3H2,1-2H3,(H2,12,13,14);1-7H,10H2;1-2,7-8H,(H,5,6).
What are the key properties of 2-amino-6-bromo-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-(4-imidazol-1-ylanilino)-4-methylpyrido[2,3-d]pyrimidin-7-one;2,6-dibromo-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-(4-imidazol-1-ylanilino)-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one;4-imidazol-1-ylaniline;1H-pyrazol-5-ylboronic acid?
2-amino-6-bromo-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-(4-imidazol-1-ylanilino)-4-methylpyrido[2,3-d]pyrimidin-7-one;2,6-dibromo-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-(4-imidazol-1-ylanilino)-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one;4-imidazol-1-ylaniline;1H-pyrazol-5-ylboronic acid has a molecular weight of 1738.97 g/mol, XLogP of 10.90, 13 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-bromo-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-(4-imidazol-1-ylanilino)-4-methylpyrido[2,3-d]pyrimidin-7-one;2,6-dibromo-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-(4-imidazol-1-ylanilino)-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one;4-imidazol-1-ylaniline;1H-pyrazol-5-ylboronic acid is sourced from PubChem (CID 158313133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).