7-(3-chloro-2-pyridinyl)-2-[2-(5H-tetrazol-5-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-N,N-dimethylpropanamide;N-[2-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]methanesulfonamide;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-N-(2-methoxyethyl)propanamide;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-1-morpholin-4-ylpropan-1-one

C119H117Cl5F15N33O12S — CID 158273914

About 7-(3-chloro-2-pyridinyl)-2-[2-(5H-tetrazol-5-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-N,N-dimethylpropanamide;N-[2-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]methanesulfonamide;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-N-(2-methoxyethyl)propanamide;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-1-morpholin-4-ylpropan-1-one

7-(3-chloro-2-pyridinyl)-2-[2-(5H-tetrazol-5-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-N,N-dimethylpropanamide;N-[2-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]methanesulfonamide;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-N-(2-methoxyethyl)propanamide;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-1-morpholin-4-ylpropan-1-one (PubChem CID 158273914) has the molecular formula C119H117Cl5F15N33O12S and a molecular weight of 2695.77 g/mol. Its IUPAC name is 7-(3-chloro-2-pyridinyl)-2-[2-(5H-tetrazol-5-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-N,N-dimethylpropanamide;N-[2-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]methanesulfonamide;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-N-(2-methoxyethyl)propanamide;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

• Compound Name: 7-(3-chloro-2-pyridinyl)-2-[2-(5H-tetrazol-5-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-N,N-dimethylpropanamide;N-[2-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]methanesulfonamide;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-N-(2-methoxyethyl)propanamide;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-1-morpholin-4-ylpropan-1-one
• PubChem CID: 158273914
• Molecular Formula: C119H117Cl5F15N33O12S
• Molecular Weight: 2695.77 g/mol
• Exact Mass: 2691.75
• IUPAC Name: 7-(3-chloro-2-pyridinyl)-2-[2-(5H-tetrazol-5-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-N,N-dimethylpropanamide;N-[2-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]methanesulfonamide;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-N-(2-methoxyethyl)propanamide;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-1-morpholin-4-ylpropan-1-one
• SMILES: CN(C)C(=O)CCOc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1Cl)C2.COCCNC(=O)CCOc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1Cl)C2.CS(=O)(=O)NCCOc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1Cl)C2.FC(F)(F)c1ccc(Nc2nc(OCCC3N=NN=N3)nc3c2CCN(c2ncccc2Cl)C3)cc1.O=C(CCOc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1Cl)C2)N1CCOCC1
• InChI: InChI=1S/C26H26ClF3N6O3.C25H26ClF3N6O3.C24H24ClF3N6O2.C22H19ClF3N9O.C22H22ClF3N6O3S/c27-20-2-1-9-31-24(20)36-10-7-19-21(16-36)33-25(39-13-8-22(37)35-11-14-38-15-12-35)34-23(19)32-18-5-3-17(4-6-18)26(28,29)30;1-37-14-11-30-21(36)9-13-38-24-33-20-15-35(23-19(26)3-2-10-31-23)12-8-18(20)22(34-24)32-17-6-4-16(5-7-17)25(27,28)29;1-33(2)20(35)10-13-36-23-31-19-14-34(22-18(25)4-3-11-29-22)12-9-17(19)21(32-23)30-16-7-5-15(6-8-16)24(26,27)28;23-16-2-1-9-27-20(16)35-10-7-15-17(12-35)29-21(36-11-8-18-31-33-34-32-18)30-19(15)28-14-5-3-13(4-6-14)22(24,25)26;1-36(33,34)28-10-12-35-21-30-18-13-32(20-17(23)3-2-9-27-20)11-8-16(18)19(31-21)29-15-6-4-14(5-7-15)22(24,25)26/h1-6,9H,7-8,10-16H2,(H,32,33,34);2-7,10H,8-9,11-15H2,1H3,(H,30,36)(H,32,33,34);3-8,11H,9-10,12-14H2,1-2H3,(H,30,31,32);1-6,9,18H,7-8,10-12H2,(H,28,29,30);2-7,9,28H,8,10-13H2,1H3,(H,29,30,31)
• InChIKey: GJJKNWLEFRZJPP-UHFFFAOYSA-N
• XLogP: 23.12
• TPSA: 499.64 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 41
• Rotatable Bonds: 39
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2695.77
LogP ≤ 5	23.12
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-2-pyridinyl)-2-[2-(5H-tetrazol-5-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-N,N-dimethylpropanamide;N-[2-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]methanesulfonamide;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-N-(2-methoxyethyl)propanamide;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-1-morpholin-4-ylpropan-1-one?

The IUPAC name of 7-(3-chloro-2-pyridinyl)-2-[2-(5H-tetrazol-5-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-N,N-dimethylpropanamide;N-[2-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]methanesulfonamide;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-N-(2-methoxyethyl)propanamide;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-1-morpholin-4-ylpropan-1-one (CID 158273914) is 7-(3-chloro-2-pyridinyl)-2-[2-(5H-tetrazol-5-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-N,N-dimethylpropanamide;N-[2-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]methanesulfonamide;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-N-(2-methoxyethyl)propanamide;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-1-morpholin-4-ylpropan-1-one.

What is the SMILES notation for 7-(3-chloro-2-pyridinyl)-2-[2-(5H-tetrazol-5-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-N,N-dimethylpropanamide;N-[2-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]methanesulfonamide;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-N-(2-methoxyethyl)propanamide;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-1-morpholin-4-ylpropan-1-one?

The canonical SMILES for 7-(3-chloro-2-pyridinyl)-2-[2-(5H-tetrazol-5-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-N,N-dimethylpropanamide;N-[2-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]methanesulfonamide;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-N-(2-methoxyethyl)propanamide;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-1-morpholin-4-ylpropan-1-one is CN(C)C(=O)CCOc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1Cl)C2.COCCNC(=O)CCOc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1Cl)C2.CS(=O)(=O)NCCOc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1Cl)C2.FC(F)(F)c1ccc(Nc2nc(OCCC3N=NN=N3)nc3c2CCN(c2ncccc2Cl)C3)cc1.O=C(CCOc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1Cl)C2)N1CCOCC1.

What is the InChIKey of 7-(3-chloro-2-pyridinyl)-2-[2-(5H-tetrazol-5-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-N,N-dimethylpropanamide;N-[2-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]methanesulfonamide;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-N-(2-methoxyethyl)propanamide;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-1-morpholin-4-ylpropan-1-one?

The InChIKey is GJJKNWLEFRZJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClF3N6O3.C25H26ClF3N6O3.C24H24ClF3N6O2.C22H19ClF3N9O.C22H22ClF3N6O3S/c27-20-2-1-9-31-24(20)36-10-7-19-21(16-36)33-25(39-13-8-22(37)35-11-14-38-15-12-35)34-23(19)32-18-5-3-17(4-6-18)26(28,29)30;1-37-14-11-30-21(36)9-13-38-24-33-20-15-35(23-19(26)3-2-10-31-23)12-8-18(20)22(34-24)32-17-6-4-16(5-7-17)25(27,28)29;1-33(2)20(35)10-13-36-23-31-19-14-34(22-18(25)4-3-11-29-22)12-9-17(19)21(32-23)30-16-7-5-15(6-8-16)24(26,27)28;23-16-2-1-9-27-20(16)35-10-7-15-17(12-35)29-21(36-11-8-18-31-33-34-32-18)30-19(15)28-14-5-3-13(4-6-14)22(24,25)26;1-36(33,34)28-10-12-35-21-30-18-13-32(20-17(23)3-2-9-27-20)11-8-16(18)19(31-21)29-15-6-4-14(5-7-15)22(24,25)26/h1-6,9H,7-8,10-16H2,(H,32,33,34);2-7,10H,8-9,11-15H2,1H3,(H,30,36)(H,32,33,34);3-8,11H,9-10,12-14H2,1-2H3,(H,30,31,32);1-6,9,18H,7-8,10-12H2,(H,28,29,30);2-7,9,28H,8,10-13H2,1H3,(H,29,30,31).

What are the key properties of 7-(3-chloro-2-pyridinyl)-2-[2-(5H-tetrazol-5-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-N,N-dimethylpropanamide;N-[2-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]methanesulfonamide;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-N-(2-methoxyethyl)propanamide;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-1-morpholin-4-ylpropan-1-one?

7-(3-chloro-2-pyridinyl)-2-[2-(5H-tetrazol-5-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-N,N-dimethylpropanamide;N-[2-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]methanesulfonamide;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-N-(2-methoxyethyl)propanamide;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-1-morpholin-4-ylpropan-1-one has a molecular weight of 2695.77 g/mol, XLogP of 23.12, 39 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3-chloro-2-pyridinyl)-2-[2-(5H-tetrazol-5-yl)ethoxy]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-N,N-dimethylpropanamide;N-[2-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]methanesulfonamide;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-N-(2-methoxyethyl)propanamide;3-[[7-(3-chloro-2-pyridinyl)-4-[4-(trifluoromethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 158273914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).