2-[(2-methoxyethylamino)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;pyrrolidin-1-yl-[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methanone;[1-[[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methyl]piperidin-4-yl]methanol;2-[[7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methylamino]acetic acid

C109H118F18N26O5 — CID 157376574

About 2-[(2-methoxyethylamino)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;pyrrolidin-1-yl-[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methanone;[1-[[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methyl]piperidin-4-yl]methanol;2-[[7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methylamino]acetic acid

2-[(2-methoxyethylamino)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;pyrrolidin-1-yl-[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methanone;[1-[[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methyl]piperidin-4-yl]methanol;2-[[7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methylamino]acetic acid (PubChem CID 157376574) has the molecular formula C109H118F18N26O5 and a molecular weight of 2214.28 g/mol. Its IUPAC name is 2-[(2-methoxyethylamino)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;pyrrolidin-1-yl-[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methanone;[1-[[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methyl]piperidin-4-yl]methanol;2-[[7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methylamino]acetic acid.

Molecular Properties

• Compound Name: 2-[(2-methoxyethylamino)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;pyrrolidin-1-yl-[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methanone;[1-[[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methyl]piperidin-4-yl]methanol;2-[[7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methylamino]acetic acid
• PubChem CID: 157376574
• Molecular Formula: C109H118F18N26O5
• Molecular Weight: 2214.28 g/mol
• Exact Mass: 2212.95
• IUPAC Name: 2-[(2-methoxyethylamino)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;pyrrolidin-1-yl-[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methanone;[1-[[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methyl]piperidin-4-yl]methanol;2-[[7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methylamino]acetic acid
• SMILES: CN1CCC(C)(C)c2ccc(Nc3nc(CNCC(=O)O)nc4c3CCN(c3ncccc3C(F)(F)F)C4)cc21.COCCNCc1nc2c(c(Nc3ccc4c(c3)N(C)CCC4(C)C)n1)CCN(c1ncccc1C(F)(F)F)C2.O=C(c1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1C(F)(F)F)C2)N1CCCC1.OCC1CCN(Cc2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ncccc2C(F)(F)F)C3)CC1
• InChI: InChI=1S/C29H36F3N7O.C28H32F3N7O2.C27H28F6N6O.C25H22F6N6O/c1-28(2)10-14-38(3)24-16-19(7-8-21(24)28)35-26-20-9-13-39(27-22(29(30,31)32)6-5-11-34-27)18-23(20)36-25(37-26)17-33-12-15-40-4;1-27(2)9-12-37(3)22-13-17(6-7-19(22)27)34-25-18-8-11-38(26-20(28(29,30)31)5-4-10-33-26)16-21(18)35-23(36-25)14-32-15-24(39)40;28-26(29,30)18-3-5-19(6-4-18)35-24-20-9-13-39(25-21(27(31,32)33)2-1-10-34-25)14-22(20)36-23(37-24)15-38-11-7-17(16-40)8-12-38;26-24(27,28)15-5-7-16(8-6-15)33-20-17-9-13-37(22-18(25(29,30)31)4-3-10-32-22)14-19(17)34-21(35-20)23(38)36-11-1-2-12-36/h5-8,11,16,33H,9-10,12-15,17-18H2,1-4H3,(H,35,36,37);4-7,10,13,32H,8-9,11-12,14-16H2,1-3H3,(H,39,40)(H,34,35,36);1-6,10,17,40H,7-9,11-16H2,(H,35,36,37);3-8,10H,1-2,9,11-14H2,(H,33,34,35)
• InChIKey: BKJVXLKSKAYWQW-UHFFFAOYSA-N
• XLogP: 20.41
• TPSA: 336.61 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 25
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2214.28
LogP ≤ 5	20.41
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyethylamino)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;pyrrolidin-1-yl-[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methanone;[1-[[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methyl]piperidin-4-yl]methanol;2-[[7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methylamino]acetic acid?

The IUPAC name of 2-[(2-methoxyethylamino)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;pyrrolidin-1-yl-[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methanone;[1-[[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methyl]piperidin-4-yl]methanol;2-[[7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methylamino]acetic acid (CID 157376574) is 2-[(2-methoxyethylamino)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;pyrrolidin-1-yl-[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methanone;[1-[[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methyl]piperidin-4-yl]methanol;2-[[7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methylamino]acetic acid.

What is the SMILES notation for 2-[(2-methoxyethylamino)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;pyrrolidin-1-yl-[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methanone;[1-[[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methyl]piperidin-4-yl]methanol;2-[[7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methylamino]acetic acid?

The canonical SMILES for 2-[(2-methoxyethylamino)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;pyrrolidin-1-yl-[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methanone;[1-[[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methyl]piperidin-4-yl]methanol;2-[[7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methylamino]acetic acid is CN1CCC(C)(C)c2ccc(Nc3nc(CNCC(=O)O)nc4c3CCN(c3ncccc3C(F)(F)F)C4)cc21.COCCNCc1nc2c(c(Nc3ccc4c(c3)N(C)CCC4(C)C)n1)CCN(c1ncccc1C(F)(F)F)C2.O=C(c1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1C(F)(F)F)C2)N1CCCC1.OCC1CCN(Cc2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ncccc2C(F)(F)F)C3)CC1.

What is the InChIKey of 2-[(2-methoxyethylamino)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;pyrrolidin-1-yl-[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methanone;[1-[[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methyl]piperidin-4-yl]methanol;2-[[7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methylamino]acetic acid?

The InChIKey is BKJVXLKSKAYWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36F3N7O.C28H32F3N7O2.C27H28F6N6O.C25H22F6N6O/c1-28(2)10-14-38(3)24-16-19(7-8-21(24)28)35-26-20-9-13-39(27-22(29(30,31)32)6-5-11-34-27)18-23(20)36-25(37-26)17-33-12-15-40-4;1-27(2)9-12-37(3)22-13-17(6-7-19(22)27)34-25-18-8-11-38(26-20(28(29,30)31)5-4-10-33-26)16-21(18)35-23(36-25)14-32-15-24(39)40;28-26(29,30)18-3-5-19(6-4-18)35-24-20-9-13-39(25-21(27(31,32)33)2-1-10-34-25)14-22(20)36-23(37-24)15-38-11-7-17(16-40)8-12-38;26-24(27,28)15-5-7-16(8-6-15)33-20-17-9-13-37(22-18(25(29,30)31)4-3-10-32-22)14-19(17)34-21(35-20)23(38)36-11-1-2-12-36/h5-8,11,16,33H,9-10,12-15,17-18H2,1-4H3,(H,35,36,37);4-7,10,13,32H,8-9,11-12,14-16H2,1-3H3,(H,39,40)(H,34,35,36);1-6,10,17,40H,7-9,11-16H2,(H,35,36,37);3-8,10H,1-2,9,11-14H2,(H,33,34,35).

What are the key properties of 2-[(2-methoxyethylamino)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;pyrrolidin-1-yl-[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methanone;[1-[[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methyl]piperidin-4-yl]methanol;2-[[7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methylamino]acetic acid?

2-[(2-methoxyethylamino)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;pyrrolidin-1-yl-[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methanone;[1-[[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methyl]piperidin-4-yl]methanol;2-[[7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methylamino]acetic acid has a molecular weight of 2214.28 g/mol, XLogP of 20.41, 25 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-methoxyethylamino)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;pyrrolidin-1-yl-[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methanone;[1-[[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methyl]piperidin-4-yl]methanol;2-[[7-[3-(trifluoromethyl)-2-pyridinyl]-4-[(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]methylamino]acetic acid is sourced from PubChem (CID 157376574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).