4-[7-(azidomethyl)-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;4-[7-[(4-ethyltriazol-1-yl)methyl]-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;4-[7-(methoxymethyl)-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carboxylic acid;2-[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]acetonitrile;[1-[[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methyl]triazol-4-yl]methanol

C123H126N34O10 — CID 160622012

About 4-[7-(azidomethyl)-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;4-[7-[(4-ethyltriazol-1-yl)methyl]-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;4-[7-(methoxymethyl)-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carboxylic acid;2-[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]acetonitrile;[1-[[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methyl]triazol-4-yl]methanol

4-[7-(azidomethyl)-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;4-[7-[(4-ethyltriazol-1-yl)methyl]-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;4-[7-(methoxymethyl)-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carboxylic acid;2-[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]acetonitrile;[1-[[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methyl]triazol-4-yl]methanol (PubChem CID 160622012) has the molecular formula C123H126N34O10 and a molecular weight of 2240.59 g/mol. Its IUPAC name is 4-[7-(azidomethyl)-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;4-[7-[(4-ethyltriazol-1-yl)methyl]-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;4-[7-(methoxymethyl)-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carboxylic acid;2-[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]acetonitrile;[1-[[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methyl]triazol-4-yl]methanol.

Molecular Properties

• Compound Name: 4-[7-(azidomethyl)-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;4-[7-[(4-ethyltriazol-1-yl)methyl]-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;4-[7-(methoxymethyl)-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carboxylic acid;2-[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]acetonitrile;[1-[[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methyl]triazol-4-yl]methanol
• PubChem CID: 160622012
• Molecular Formula: C123H126N34O10
• Molecular Weight: 2240.59 g/mol
• Exact Mass: 2239.04
• IUPAC Name: 4-[7-(azidomethyl)-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;4-[7-[(4-ethyltriazol-1-yl)methyl]-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;4-[7-(methoxymethyl)-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carboxylic acid;2-[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]acetonitrile;[1-[[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methyl]triazol-4-yl]methanol
• SMILES: CCc1cn(Cc2cnc3c(N4CCOCC4)nc(-c4cccc(C)c4)nc3c2)nn1.COCc1cnc2c(N3CCOCC3)nc(-c3cccc(C)c3)nc2c1.Cc1cccc(-c2nc(N3CCOCC3)c3ncc(C(=O)O)cc3n2)c1.Cc1cccc(-c2nc(N3CCOCC3)c3ncc(CC#N)cc3n2)c1.Cc1cccc(-c2nc(N3CCOCC3)c3ncc(CN=[N+]=[N-])cc3n2)c1.Cc1cccc(-c2nc(N3CCOCC3)c3ncc(Cn4cc(CO)nn4)cc3n2)c1
• InChI: InChI=1S/C23H25N7O.C22H23N7O2.C20H19N5O.C20H22N4O2.C19H19N7O.C19H18N4O3/c1-3-19-15-30(28-27-19)14-17-12-20-21(24-13-17)23(29-7-9-31-10-8-29)26-22(25-20)18-6-4-5-16(2)11-18;1-15-3-2-4-17(9-15)21-24-19-10-16(12-29-13-18(14-30)26-27-29)11-23-20(19)22(25-21)28-5-7-31-8-6-28;1-14-3-2-4-16(11-14)19-23-17-12-15(5-6-21)13-22-18(17)20(24-19)25-7-9-26-10-8-25;1-14-4-3-5-16(10-14)19-22-17-11-15(13-25-2)12-21-18(17)20(23-19)24-6-8-26-9-7-24;1-13-3-2-4-15(9-13)18-23-16-10-14(12-22-25-20)11-21-17(16)19(24-18)26-5-7-27-8-6-26;1-12-3-2-4-13(9-12)17-21-15-10-14(19(24)25)11-20-16(15)18(22-17)23-5-7-26-8-6-23/h4-6,11-13,15H,3,7-10,14H2,1-2H3;2-4,9-11,13,30H,5-8,12,14H2,1H3;2-4,11-13H,5,7-10H2,1H3;3-5,10-12H,6-9,13H2,1-2H3;2-4,9-11H,5-8,12H2,1H3;2-4,9-11H,5-8H2,1H3,(H,24,25)
• InChIKey: RGVBJBLJZLQHRE-UHFFFAOYSA-N
• XLogP: 17.08
• TPSA: 507.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 41
• Rotatable Bonds: 24
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2240.59
LogP ≤ 5	17.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[7-(azidomethyl)-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;4-[7-[(4-ethyltriazol-1-yl)methyl]-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;4-[7-(methoxymethyl)-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carboxylic acid;2-[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]acetonitrile;[1-[[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methyl]triazol-4-yl]methanol?

The IUPAC name of 4-[7-(azidomethyl)-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;4-[7-[(4-ethyltriazol-1-yl)methyl]-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;4-[7-(methoxymethyl)-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carboxylic acid;2-[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]acetonitrile;[1-[[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methyl]triazol-4-yl]methanol (CID 160622012) is 4-[7-(azidomethyl)-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;4-[7-[(4-ethyltriazol-1-yl)methyl]-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;4-[7-(methoxymethyl)-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carboxylic acid;2-[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]acetonitrile;[1-[[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methyl]triazol-4-yl]methanol.

What is the SMILES notation for 4-[7-(azidomethyl)-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;4-[7-[(4-ethyltriazol-1-yl)methyl]-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;4-[7-(methoxymethyl)-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carboxylic acid;2-[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]acetonitrile;[1-[[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methyl]triazol-4-yl]methanol?

The canonical SMILES for 4-[7-(azidomethyl)-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;4-[7-[(4-ethyltriazol-1-yl)methyl]-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;4-[7-(methoxymethyl)-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carboxylic acid;2-[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]acetonitrile;[1-[[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methyl]triazol-4-yl]methanol is CCc1cn(Cc2cnc3c(N4CCOCC4)nc(-c4cccc(C)c4)nc3c2)nn1.COCc1cnc2c(N3CCOCC3)nc(-c3cccc(C)c3)nc2c1.Cc1cccc(-c2nc(N3CCOCC3)c3ncc(C(=O)O)cc3n2)c1.Cc1cccc(-c2nc(N3CCOCC3)c3ncc(CC#N)cc3n2)c1.Cc1cccc(-c2nc(N3CCOCC3)c3ncc(CN=[N+]=[N-])cc3n2)c1.Cc1cccc(-c2nc(N3CCOCC3)c3ncc(Cn4cc(CO)nn4)cc3n2)c1.

What is the InChIKey of 4-[7-(azidomethyl)-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;4-[7-[(4-ethyltriazol-1-yl)methyl]-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;4-[7-(methoxymethyl)-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carboxylic acid;2-[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]acetonitrile;[1-[[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methyl]triazol-4-yl]methanol?

The InChIKey is RGVBJBLJZLQHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O.C22H23N7O2.C20H19N5O.C20H22N4O2.C19H19N7O.C19H18N4O3/c1-3-19-15-30(28-27-19)14-17-12-20-21(24-13-17)23(29-7-9-31-10-8-29)26-22(25-20)18-6-4-5-16(2)11-18;1-15-3-2-4-17(9-15)21-24-19-10-16(12-29-13-18(14-30)26-27-29)11-23-20(19)22(25-21)28-5-7-31-8-6-28;1-14-3-2-4-16(11-14)19-23-17-12-15(5-6-21)13-22-18(17)20(24-19)25-7-9-26-10-8-25;1-14-4-3-5-16(10-14)19-22-17-11-15(13-25-2)12-21-18(17)20(23-19)24-6-8-26-9-7-24;1-13-3-2-4-15(9-13)18-23-16-10-14(12-22-25-20)11-21-17(16)19(24-18)26-5-7-27-8-6-26;1-12-3-2-4-13(9-12)17-21-15-10-14(19(24)25)11-20-16(15)18(22-17)23-5-7-26-8-6-23/h4-6,11-13,15H,3,7-10,14H2,1-2H3;2-4,9-11,13,30H,5-8,12,14H2,1H3;2-4,11-13H,5,7-10H2,1H3;3-5,10-12H,6-9,13H2,1-2H3;2-4,9-11H,5-8,12H2,1H3;2-4,9-11H,5-8H2,1H3,(H,24,25).

What are the key properties of 4-[7-(azidomethyl)-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;4-[7-[(4-ethyltriazol-1-yl)methyl]-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;4-[7-(methoxymethyl)-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carboxylic acid;2-[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]acetonitrile;[1-[[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methyl]triazol-4-yl]methanol?

4-[7-(azidomethyl)-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;4-[7-[(4-ethyltriazol-1-yl)methyl]-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;4-[7-(methoxymethyl)-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carboxylic acid;2-[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]acetonitrile;[1-[[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methyl]triazol-4-yl]methanol has a molecular weight of 2240.59 g/mol, XLogP of 17.08, 24 rotatable bonds, 2 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-(azidomethyl)-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;4-[7-[(4-ethyltriazol-1-yl)methyl]-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;4-[7-(methoxymethyl)-2-(3-methylphenyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine;2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carboxylic acid;2-[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]acetonitrile;[1-[[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methyl]triazol-4-yl]methanol is sourced from PubChem (CID 160622012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).