7-(2-chlorophenyl)-2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-[2-(oxan-4-yloxy)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidine-4-carboxamide;1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidin-4-ol;[1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidin-4-yl]methanol

C138H149Cl5F15N25O11 — CID 159909915

About 7-(2-chlorophenyl)-2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-[2-(oxan-4-yloxy)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidine-4-carboxamide;1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidin-4-ol;[1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidin-4-yl]methanol

7-(2-chlorophenyl)-2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-[2-(oxan-4-yloxy)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidine-4-carboxamide;1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidin-4-ol;[1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidin-4-yl]methanol (PubChem CID 159909915) has the molecular formula C138H149Cl5F15N25O11 and a molecular weight of 2796.11 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-[2-(oxan-4-yloxy)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidine-4-carboxamide;1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidin-4-ol;[1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidin-4-yl]methanol.

Molecular Properties

• Compound Name: 7-(2-chlorophenyl)-2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-[2-(oxan-4-yloxy)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidine-4-carboxamide;1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidin-4-ol;[1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidin-4-yl]methanol
• PubChem CID: 159909915
• Molecular Formula: C138H149Cl5F15N25O11
• Molecular Weight: 2796.11 g/mol
• Exact Mass: 2792.01
• IUPAC Name: 7-(2-chlorophenyl)-2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-[2-(oxan-4-yloxy)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidine-4-carboxamide;1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidin-4-ol;[1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidin-4-yl]methanol
• SMILES: CC1CN(CCOc2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ccccc2Cl)C3)CC(C)O1.FC(F)(F)c1ccc(Nc2nc(OCCOC3CCOCC3)nc3c2CCN(c2ccccc2Cl)C3)cc1.NC(=O)C1CCN(CCOc2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ccccc2Cl)C3)CC1.OC1CCN(CCOc2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ccccc2Cl)C3)CC1.OCC1CCN(CCOc2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ccccc2Cl)C3)CC1
• InChI: InChI=1S/C28H30ClF3N6O2.2C28H31ClF3N5O2.C27H29ClF3N5O2.C27H28ClF3N4O3/c29-22-3-1-2-4-24(22)38-14-11-21-23(17-38)35-27(40-16-15-37-12-9-18(10-13-37)25(33)39)36-26(21)34-20-7-5-19(6-8-20)28(30,31)32;1-18-15-36(16-19(2)39-18)13-14-38-27-34-24-17-37(25-6-4-3-5-23(25)29)12-11-22(24)26(35-27)33-21-9-7-20(8-10-21)28(30,31)32;29-23-3-1-2-4-25(23)37-14-11-22-24(17-37)34-27(39-16-15-36-12-9-19(18-38)10-13-36)35-26(22)33-21-7-5-20(6-8-21)28(30,31)32;28-22-3-1-2-4-24(22)36-14-11-21-23(17-36)33-26(38-16-15-35-12-9-20(37)10-13-35)34-25(21)32-19-7-5-18(6-8-19)27(29,30)31;28-22-3-1-2-4-24(22)35-12-9-21-23(17-35)33-26(38-16-15-37-20-10-13-36-14-11-20)34-25(21)32-19-7-5-18(6-8-19)27(29,30)31/h1-8,18H,9-17H2,(H2,33,39)(H,34,35,36);3-10,18-19H,11-17H2,1-2H3,(H,33,34,35);1-8,19,38H,9-18H2,(H,33,34,35);1-8,20,37H,9-17H2,(H,32,33,34);1-8,20H,9-17H2,(H,32,33,34)
• InChIKey: NXBDIVHURKRLCZ-UHFFFAOYSA-N
• XLogP: 27.83
• TPSA: 375.60 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 38
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2796.11
LogP ≤ 5	27.83
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)-2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-[2-(oxan-4-yloxy)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidine-4-carboxamide;1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidin-4-ol;[1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidin-4-yl]methanol?

The IUPAC name of 7-(2-chlorophenyl)-2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-[2-(oxan-4-yloxy)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidine-4-carboxamide;1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidin-4-ol;[1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidin-4-yl]methanol (CID 159909915) is 7-(2-chlorophenyl)-2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-[2-(oxan-4-yloxy)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidine-4-carboxamide;1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidin-4-ol;[1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidin-4-yl]methanol.

What is the SMILES notation for 7-(2-chlorophenyl)-2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-[2-(oxan-4-yloxy)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidine-4-carboxamide;1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidin-4-ol;[1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidin-4-yl]methanol?

The canonical SMILES for 7-(2-chlorophenyl)-2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-[2-(oxan-4-yloxy)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidine-4-carboxamide;1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidin-4-ol;[1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidin-4-yl]methanol is CC1CN(CCOc2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ccccc2Cl)C3)CC(C)O1.FC(F)(F)c1ccc(Nc2nc(OCCOC3CCOCC3)nc3c2CCN(c2ccccc2Cl)C3)cc1.NC(=O)C1CCN(CCOc2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ccccc2Cl)C3)CC1.OC1CCN(CCOc2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ccccc2Cl)C3)CC1.OCC1CCN(CCOc2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ccccc2Cl)C3)CC1.

What is the InChIKey of 7-(2-chlorophenyl)-2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-[2-(oxan-4-yloxy)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidine-4-carboxamide;1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidin-4-ol;[1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidin-4-yl]methanol?

The InChIKey is NXBDIVHURKRLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClF3N6O2.2C28H31ClF3N5O2.C27H29ClF3N5O2.C27H28ClF3N4O3/c29-22-3-1-2-4-24(22)38-14-11-21-23(17-38)35-27(40-16-15-37-12-9-18(10-13-37)25(33)39)36-26(21)34-20-7-5-19(6-8-20)28(30,31)32;1-18-15-36(16-19(2)39-18)13-14-38-27-34-24-17-37(25-6-4-3-5-23(25)29)12-11-22(24)26(35-27)33-21-9-7-20(8-10-21)28(30,31)32;29-23-3-1-2-4-25(23)37-14-11-22-24(17-37)34-27(39-16-15-36-12-9-19(18-38)10-13-36)35-26(22)33-21-7-5-20(6-8-21)28(30,31)32;28-22-3-1-2-4-24(22)36-14-11-21-23(17-36)33-26(38-16-15-35-12-9-20(37)10-13-35)34-25(21)32-19-7-5-18(6-8-19)27(29,30)31;28-22-3-1-2-4-24(22)35-12-9-21-23(17-35)33-26(38-16-15-37-20-10-13-36-14-11-20)34-25(21)32-19-7-5-18(6-8-19)27(29,30)31/h1-8,18H,9-17H2,(H2,33,39)(H,34,35,36);3-10,18-19H,11-17H2,1-2H3,(H,33,34,35);1-8,19,38H,9-18H2,(H,33,34,35);1-8,20,37H,9-17H2,(H,32,33,34);1-8,20H,9-17H2,(H,32,33,34).

What are the key properties of 7-(2-chlorophenyl)-2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-[2-(oxan-4-yloxy)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidine-4-carboxamide;1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidin-4-ol;[1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidin-4-yl]methanol?

7-(2-chlorophenyl)-2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-[2-(oxan-4-yloxy)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidine-4-carboxamide;1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidin-4-ol;[1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidin-4-yl]methanol has a molecular weight of 2796.11 g/mol, XLogP of 27.83, 38 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-chlorophenyl)-2-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(2-chlorophenyl)-2-[2-(oxan-4-yloxy)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidine-4-carboxamide;1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidin-4-ol;[1-[2-[[7-(2-chlorophenyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]piperidin-4-yl]methanol is sourced from PubChem (CID 159909915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).