N-(6-bromo-3-pyridinyl)-7-(5-chloro-2-pyridinyl)-8-methyl-2-(2-morpholin-4-ylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloropyrazin-2-yl)-6,8-dimethyl-2-(2-pyrrolidin-1-ylethoxy)-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-4-N-[4-(difluoromethoxy)phenyl]-2-N-(2-ethoxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine;4-N-[7-(3-chloro-2-pyridinyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-diethyl-2-methylbenzene-1,4-diamine;7-(3-chloro-2-pyridinyl)-2-N,2-N,6-trimethyl-4-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine

C117H130BrCl5F8N34O4 — CID 158487743

About N-(6-bromo-3-pyridinyl)-7-(5-chloro-2-pyridinyl)-8-methyl-2-(2-morpholin-4-ylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloropyrazin-2-yl)-6,8-dimethyl-2-(2-pyrrolidin-1-ylethoxy)-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-4-N-[4-(difluoromethoxy)phenyl]-2-N-(2-ethoxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine;4-N-[7-(3-chloro-2-pyridinyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-diethyl-2-methylbenzene-1,4-diamine;7-(3-chloro-2-pyridinyl)-2-N,2-N,6-trimethyl-4-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine

N-(6-bromo-3-pyridinyl)-7-(5-chloro-2-pyridinyl)-8-methyl-2-(2-morpholin-4-ylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloropyrazin-2-yl)-6,8-dimethyl-2-(2-pyrrolidin-1-ylethoxy)-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-4-N-[4-(difluoromethoxy)phenyl]-2-N-(2-ethoxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine;4-N-[7-(3-chloro-2-pyridinyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-diethyl-2-methylbenzene-1,4-diamine;7-(3-chloro-2-pyridinyl)-2-N,2-N,6-trimethyl-4-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine (PubChem CID 158487743) has the molecular formula C117H130BrCl5F8N34O4 and a molecular weight of 2485.71 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-7-(5-chloro-2-pyridinyl)-8-methyl-2-(2-morpholin-4-ylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloropyrazin-2-yl)-6,8-dimethyl-2-(2-pyrrolidin-1-ylethoxy)-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-4-N-[4-(difluoromethoxy)phenyl]-2-N-(2-ethoxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine;4-N-[7-(3-chloro-2-pyridinyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-diethyl-2-methylbenzene-1,4-diamine;7-(3-chloro-2-pyridinyl)-2-N,2-N,6-trimethyl-4-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: N-(6-bromo-3-pyridinyl)-7-(5-chloro-2-pyridinyl)-8-methyl-2-(2-morpholin-4-ylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloropyrazin-2-yl)-6,8-dimethyl-2-(2-pyrrolidin-1-ylethoxy)-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-4-N-[4-(difluoromethoxy)phenyl]-2-N-(2-ethoxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine;4-N-[7-(3-chloro-2-pyridinyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-diethyl-2-methylbenzene-1,4-diamine;7-(3-chloro-2-pyridinyl)-2-N,2-N,6-trimethyl-4-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine
• PubChem CID: 158487743
• Molecular Formula: C117H130BrCl5F8N34O4
• Molecular Weight: 2485.71 g/mol
• Exact Mass: 2480.85
• IUPAC Name: N-(6-bromo-3-pyridinyl)-7-(5-chloro-2-pyridinyl)-8-methyl-2-(2-morpholin-4-ylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloropyrazin-2-yl)-6,8-dimethyl-2-(2-pyrrolidin-1-ylethoxy)-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-4-N-[4-(difluoromethoxy)phenyl]-2-N-(2-ethoxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine;4-N-[7-(3-chloro-2-pyridinyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-diethyl-2-methylbenzene-1,4-diamine;7-(3-chloro-2-pyridinyl)-2-N,2-N,6-trimethyl-4-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine
• SMILES: CC1Cc2c(Nc3ccc(C(F)(F)F)nc3)nc(OCCN3CCCC3)nc2C(C)N1c1nccnc1Cl.CC1Cc2c(nc(N(C)C)nc2Nc2ccc(C(F)(F)F)nc2)CN1c1ncccc1Cl.CC1c2nc(CCN3CCOCC3)nc(Nc3ccc(Br)nc3)c2CCN1c1ccc(Cl)cn1.CCN(CC)c1ccc(Nc2ncnc3c2CC(C)N(c2ncccc2Cl)C3)cc1C.CCOCCNc1nc2c(c(Nc3ccc(OC(F)F)cc3)n1)CCN(c1ncccc1Cl)C2
• InChI: InChI=1S/C25H28ClF3N8O.C24H27BrClN7O.C24H29ClN6.C23H25ClF2N6O2.C21H21ClF3N7/c1-15-13-18-20(16(2)37(15)23-21(26)30-7-8-31-23)34-24(38-12-11-36-9-3-4-10-36)35-22(18)33-17-5-6-19(32-14-17)25(27,28)29;1-16-23-19(6-9-33(16)22-5-2-17(26)14-28-22)24(29-18-3-4-20(25)27-15-18)31-21(30-23)7-8-32-10-12-34-13-11-32;1-5-30(6-2)22-10-9-18(12-16(22)3)29-23-19-13-17(4)31(14-21(19)27-15-28-23)24-20(25)8-7-11-26-24;1-2-33-13-11-28-23-30-19-14-32(21-18(24)4-3-10-27-21)12-9-17(19)20(31-23)29-15-5-7-16(8-6-15)34-22(25)26;1-12-9-14-16(11-32(12)19-15(22)5-4-8-26-19)29-20(31(2)3)30-18(14)28-13-6-7-17(27-10-13)21(23,24)25/h5-8,14-16H,3-4,9-13H2,1-2H3,(H,33,34,35);2-5,14-16H,6-13H2,1H3,(H,29,30,31);7-12,15,17H,5-6,13-14H2,1-4H3,(H,27,28,29);3-8,10,22H,2,9,11-14H2,1H3,(H2,28,29,30,31);4-8,10,12H,9,11H2,1-3H3,(H,28,29,30)
• InChIKey: HIHSOCMXEVDSFI-UHFFFAOYSA-N
• XLogP: 24.44
• TPSA: 383.17 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 33
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2485.71
LogP ≤ 5	24.44
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-7-(5-chloro-2-pyridinyl)-8-methyl-2-(2-morpholin-4-ylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloropyrazin-2-yl)-6,8-dimethyl-2-(2-pyrrolidin-1-ylethoxy)-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-4-N-[4-(difluoromethoxy)phenyl]-2-N-(2-ethoxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine;4-N-[7-(3-chloro-2-pyridinyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-diethyl-2-methylbenzene-1,4-diamine;7-(3-chloro-2-pyridinyl)-2-N,2-N,6-trimethyl-4-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine?

The IUPAC name of N-(6-bromo-3-pyridinyl)-7-(5-chloro-2-pyridinyl)-8-methyl-2-(2-morpholin-4-ylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloropyrazin-2-yl)-6,8-dimethyl-2-(2-pyrrolidin-1-ylethoxy)-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-4-N-[4-(difluoromethoxy)phenyl]-2-N-(2-ethoxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine;4-N-[7-(3-chloro-2-pyridinyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-diethyl-2-methylbenzene-1,4-diamine;7-(3-chloro-2-pyridinyl)-2-N,2-N,6-trimethyl-4-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine (CID 158487743) is N-(6-bromo-3-pyridinyl)-7-(5-chloro-2-pyridinyl)-8-methyl-2-(2-morpholin-4-ylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloropyrazin-2-yl)-6,8-dimethyl-2-(2-pyrrolidin-1-ylethoxy)-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-4-N-[4-(difluoromethoxy)phenyl]-2-N-(2-ethoxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine;4-N-[7-(3-chloro-2-pyridinyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-diethyl-2-methylbenzene-1,4-diamine;7-(3-chloro-2-pyridinyl)-2-N,2-N,6-trimethyl-4-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine.

What is the SMILES notation for N-(6-bromo-3-pyridinyl)-7-(5-chloro-2-pyridinyl)-8-methyl-2-(2-morpholin-4-ylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloropyrazin-2-yl)-6,8-dimethyl-2-(2-pyrrolidin-1-ylethoxy)-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-4-N-[4-(difluoromethoxy)phenyl]-2-N-(2-ethoxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine;4-N-[7-(3-chloro-2-pyridinyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-diethyl-2-methylbenzene-1,4-diamine;7-(3-chloro-2-pyridinyl)-2-N,2-N,6-trimethyl-4-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine?

The canonical SMILES for N-(6-bromo-3-pyridinyl)-7-(5-chloro-2-pyridinyl)-8-methyl-2-(2-morpholin-4-ylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloropyrazin-2-yl)-6,8-dimethyl-2-(2-pyrrolidin-1-ylethoxy)-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-4-N-[4-(difluoromethoxy)phenyl]-2-N-(2-ethoxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine;4-N-[7-(3-chloro-2-pyridinyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-diethyl-2-methylbenzene-1,4-diamine;7-(3-chloro-2-pyridinyl)-2-N,2-N,6-trimethyl-4-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine is CC1Cc2c(Nc3ccc(C(F)(F)F)nc3)nc(OCCN3CCCC3)nc2C(C)N1c1nccnc1Cl.CC1Cc2c(nc(N(C)C)nc2Nc2ccc(C(F)(F)F)nc2)CN1c1ncccc1Cl.CC1c2nc(CCN3CCOCC3)nc(Nc3ccc(Br)nc3)c2CCN1c1ccc(Cl)cn1.CCN(CC)c1ccc(Nc2ncnc3c2CC(C)N(c2ncccc2Cl)C3)cc1C.CCOCCNc1nc2c(c(Nc3ccc(OC(F)F)cc3)n1)CCN(c1ncccc1Cl)C2.

What is the InChIKey of N-(6-bromo-3-pyridinyl)-7-(5-chloro-2-pyridinyl)-8-methyl-2-(2-morpholin-4-ylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloropyrazin-2-yl)-6,8-dimethyl-2-(2-pyrrolidin-1-ylethoxy)-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-4-N-[4-(difluoromethoxy)phenyl]-2-N-(2-ethoxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine;4-N-[7-(3-chloro-2-pyridinyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-diethyl-2-methylbenzene-1,4-diamine;7-(3-chloro-2-pyridinyl)-2-N,2-N,6-trimethyl-4-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine?

The InChIKey is HIHSOCMXEVDSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClF3N8O.C24H27BrClN7O.C24H29ClN6.C23H25ClF2N6O2.C21H21ClF3N7/c1-15-13-18-20(16(2)37(15)23-21(26)30-7-8-31-23)34-24(38-12-11-36-9-3-4-10-36)35-22(18)33-17-5-6-19(32-14-17)25(27,28)29;1-16-23-19(6-9-33(16)22-5-2-17(26)14-28-22)24(29-18-3-4-20(25)27-15-18)31-21(30-23)7-8-32-10-12-34-13-11-32;1-5-30(6-2)22-10-9-18(12-16(22)3)29-23-19-13-17(4)31(14-21(19)27-15-28-23)24-20(25)8-7-11-26-24;1-2-33-13-11-28-23-30-19-14-32(21-18(24)4-3-10-27-21)12-9-17(19)20(31-23)29-15-5-7-16(8-6-15)34-22(25)26;1-12-9-14-16(11-32(12)19-15(22)5-4-8-26-19)29-20(31(2)3)30-18(14)28-13-6-7-17(27-10-13)21(23,24)25/h5-8,14-16H,3-4,9-13H2,1-2H3,(H,33,34,35);2-5,14-16H,6-13H2,1H3,(H,29,30,31);7-12,15,17H,5-6,13-14H2,1-4H3,(H,27,28,29);3-8,10,22H,2,9,11-14H2,1H3,(H2,28,29,30,31);4-8,10,12H,9,11H2,1-3H3,(H,28,29,30).

What are the key properties of N-(6-bromo-3-pyridinyl)-7-(5-chloro-2-pyridinyl)-8-methyl-2-(2-morpholin-4-ylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloropyrazin-2-yl)-6,8-dimethyl-2-(2-pyrrolidin-1-ylethoxy)-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-4-N-[4-(difluoromethoxy)phenyl]-2-N-(2-ethoxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine;4-N-[7-(3-chloro-2-pyridinyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-diethyl-2-methylbenzene-1,4-diamine;7-(3-chloro-2-pyridinyl)-2-N,2-N,6-trimethyl-4-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine?

N-(6-bromo-3-pyridinyl)-7-(5-chloro-2-pyridinyl)-8-methyl-2-(2-morpholin-4-ylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloropyrazin-2-yl)-6,8-dimethyl-2-(2-pyrrolidin-1-ylethoxy)-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-4-N-[4-(difluoromethoxy)phenyl]-2-N-(2-ethoxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine;4-N-[7-(3-chloro-2-pyridinyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-diethyl-2-methylbenzene-1,4-diamine;7-(3-chloro-2-pyridinyl)-2-N,2-N,6-trimethyl-4-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine has a molecular weight of 2485.71 g/mol, XLogP of 24.44, 33 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-bromo-3-pyridinyl)-7-(5-chloro-2-pyridinyl)-8-methyl-2-(2-morpholin-4-ylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloropyrazin-2-yl)-6,8-dimethyl-2-(2-pyrrolidin-1-ylethoxy)-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-4-N-[4-(difluoromethoxy)phenyl]-2-N-(2-ethoxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine;4-N-[7-(3-chloro-2-pyridinyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-N,1-N-diethyl-2-methylbenzene-1,4-diamine;7-(3-chloro-2-pyridinyl)-2-N,2-N,6-trimethyl-4-N-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 158487743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).