4-(4-tert-butylanilino)-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one;6-(3-chloro-2-pyridinyl)-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;1-N-[7-(2-methoxyphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-N,3-N-dimethyl-4-propan-2-ylbenzene-1,3-diamine;N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-phenyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine;N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-pyridin-2-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine;1-methyl-4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one

C139H147ClF9N29O3 — CID 159261289

About 4-(4-tert-butylanilino)-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one;6-(3-chloro-2-pyridinyl)-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;1-N-[7-(2-methoxyphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-N,3-N-dimethyl-4-propan-2-ylbenzene-1,3-diamine;N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-phenyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine;N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-pyridin-2-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine;1-methyl-4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one

4-(4-tert-butylanilino)-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one;6-(3-chloro-2-pyridinyl)-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;1-N-[7-(2-methoxyphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-N,3-N-dimethyl-4-propan-2-ylbenzene-1,3-diamine;N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-phenyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine;N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-pyridin-2-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine;1-methyl-4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one (PubChem CID 159261289) has the molecular formula C139H147ClF9N29O3 and a molecular weight of 2478.34 g/mol. Its IUPAC name is 4-(4-tert-butylanilino)-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one;6-(3-chloro-2-pyridinyl)-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;1-N-[7-(2-methoxyphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-N,3-N-dimethyl-4-propan-2-ylbenzene-1,3-diamine;N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-phenyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine;N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-pyridin-2-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine;1-methyl-4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 4-(4-tert-butylanilino)-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one;6-(3-chloro-2-pyridinyl)-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;1-N-[7-(2-methoxyphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-N,3-N-dimethyl-4-propan-2-ylbenzene-1,3-diamine;N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-phenyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine;N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-pyridin-2-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine;1-methyl-4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one
• PubChem CID: 159261289
• Molecular Formula: C139H147ClF9N29O3
• Molecular Weight: 2478.34 g/mol
• Exact Mass: 2476.18
• IUPAC Name: 4-(4-tert-butylanilino)-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one;6-(3-chloro-2-pyridinyl)-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;1-N-[7-(2-methoxyphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-N,3-N-dimethyl-4-propan-2-ylbenzene-1,3-diamine;N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-phenyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine;N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-pyridin-2-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine;1-methyl-4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one
• SMILES: CC(C)(C)c1ccc(Nc2nc(=O)[nH]c3c2CCN(c2ncccc2C(F)(F)F)C3)cc1.CN1CCCc2ccc(Nc3nccc4c3CCN(c3ccccc3)C4)cc21.CN1CCCc2ccc(Nc3nccc4c3CCN(c3ccccn3)C4)cc21.CN1CCCc2ccc(Nc3nccc4c3CCN(c3ncccc3Cl)C4)cc21.COc1ccccc1N1CCc2c(ncnc2Nc2ccc(C(C)C)c(N(C)C)c2)C1.Cn1c2c(c(Nc3ccc(C(F)(F)F)cc3)nc1=O)CCN(c1ncccc1C(F)(F)F)C2
• InChI: InChI=1S/C25H31N5O.C24H26N4.C23H24ClN5.C23H24F3N5O.C23H25N5.C21H17F6N5O/c1-17(2)19-11-10-18(14-23(19)29(3)4)28-25-20-12-13-30(15-21(20)26-16-27-25)22-8-6-7-9-24(22)31-5;1-27-14-5-6-18-9-10-20(16-23(18)27)26-24-22-12-15-28(17-19(22)11-13-25-24)21-7-3-2-4-8-21;1-28-12-3-4-16-6-7-18(14-21(16)28)27-22-19-9-13-29(15-17(19)8-11-25-22)23-20(24)5-2-10-26-23;1-22(2,3)14-6-8-15(9-7-14)28-19-16-10-12-31(13-18(16)29-21(32)30-19)20-17(23(24,25)26)5-4-11-27-20;1-27-13-4-5-17-7-8-19(15-21(17)27)26-23-20-10-14-28(16-18(20)9-12-25-23)22-6-2-3-11-24-22;1-31-16-11-32(18-15(21(25,26)27)3-2-9-28-18)10-8-14(16)17(30-19(31)33)29-13-6-4-12(5-7-13)20(22,23)24/h6-11,14,16-17H,12-13,15H2,1-5H3,(H,26,27,28);2-4,7-11,13,16H,5-6,12,14-15,17H2,1H3,(H,25,26);2,5-8,10-11,14H,3-4,9,12-13,15H2,1H3,(H,25,27);4-9,11H,10,12-13H2,1-3H3,(H2,28,29,30,32);2-3,6-9,11-12,15H,4-5,10,13-14,16H2,1H3,(H,25,26);2-7,9H,8,10-11H2,1H3,(H,29,30,33)
• InChIKey: KWNRQJZYKPSZFB-UHFFFAOYSA-N
• XLogP: 28.04
• TPSA: 310.46 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 21
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2478.34
LogP ≤ 5	28.04
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylanilino)-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one;6-(3-chloro-2-pyridinyl)-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;1-N-[7-(2-methoxyphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-N,3-N-dimethyl-4-propan-2-ylbenzene-1,3-diamine;N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-phenyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine;N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-pyridin-2-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine;1-methyl-4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one?

The IUPAC name of 4-(4-tert-butylanilino)-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one;6-(3-chloro-2-pyridinyl)-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;1-N-[7-(2-methoxyphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-N,3-N-dimethyl-4-propan-2-ylbenzene-1,3-diamine;N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-phenyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine;N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-pyridin-2-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine;1-methyl-4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one (CID 159261289) is 4-(4-tert-butylanilino)-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one;6-(3-chloro-2-pyridinyl)-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;1-N-[7-(2-methoxyphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-N,3-N-dimethyl-4-propan-2-ylbenzene-1,3-diamine;N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-phenyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine;N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-pyridin-2-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine;1-methyl-4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one.

What is the SMILES notation for 4-(4-tert-butylanilino)-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one;6-(3-chloro-2-pyridinyl)-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;1-N-[7-(2-methoxyphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-N,3-N-dimethyl-4-propan-2-ylbenzene-1,3-diamine;N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-phenyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine;N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-pyridin-2-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine;1-methyl-4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one?

The canonical SMILES for 4-(4-tert-butylanilino)-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one;6-(3-chloro-2-pyridinyl)-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;1-N-[7-(2-methoxyphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-N,3-N-dimethyl-4-propan-2-ylbenzene-1,3-diamine;N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-phenyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine;N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-pyridin-2-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine;1-methyl-4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one is CC(C)(C)c1ccc(Nc2nc(=O)[nH]c3c2CCN(c2ncccc2C(F)(F)F)C3)cc1.CN1CCCc2ccc(Nc3nccc4c3CCN(c3ccccc3)C4)cc21.CN1CCCc2ccc(Nc3nccc4c3CCN(c3ccccn3)C4)cc21.CN1CCCc2ccc(Nc3nccc4c3CCN(c3ncccc3Cl)C4)cc21.COc1ccccc1N1CCc2c(ncnc2Nc2ccc(C(C)C)c(N(C)C)c2)C1.Cn1c2c(c(Nc3ccc(C(F)(F)F)cc3)nc1=O)CCN(c1ncccc1C(F)(F)F)C2.

What is the InChIKey of 4-(4-tert-butylanilino)-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one;6-(3-chloro-2-pyridinyl)-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;1-N-[7-(2-methoxyphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-N,3-N-dimethyl-4-propan-2-ylbenzene-1,3-diamine;N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-phenyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine;N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-pyridin-2-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine;1-methyl-4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one?

The InChIKey is KWNRQJZYKPSZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O.C24H26N4.C23H24ClN5.C23H24F3N5O.C23H25N5.C21H17F6N5O/c1-17(2)19-11-10-18(14-23(19)29(3)4)28-25-20-12-13-30(15-21(20)26-16-27-25)22-8-6-7-9-24(22)31-5;1-27-14-5-6-18-9-10-20(16-23(18)27)26-24-22-12-15-28(17-19(22)11-13-25-24)21-7-3-2-4-8-21;1-28-12-3-4-16-6-7-18(14-21(16)28)27-22-19-9-13-29(15-17(19)8-11-25-22)23-20(24)5-2-10-26-23;1-22(2,3)14-6-8-15(9-7-14)28-19-16-10-12-31(13-18(16)29-21(32)30-19)20-17(23(24,25)26)5-4-11-27-20;1-27-13-4-5-17-7-8-19(15-21(17)27)26-23-20-10-14-28(16-18(20)9-12-25-23)22-6-2-3-11-24-22;1-31-16-11-32(18-15(21(25,26)27)3-2-9-28-18)10-8-14(16)17(30-19(31)33)29-13-6-4-12(5-7-13)20(22,23)24/h6-11,14,16-17H,12-13,15H2,1-5H3,(H,26,27,28);2-4,7-11,13,16H,5-6,12,14-15,17H2,1H3,(H,25,26);2,5-8,10-11,14H,3-4,9,12-13,15H2,1H3,(H,25,27);4-9,11H,10,12-13H2,1-3H3,(H2,28,29,30,32);2-3,6-9,11-12,15H,4-5,10,13-14,16H2,1H3,(H,25,26);2-7,9H,8,10-11H2,1H3,(H,29,30,33).

What are the key properties of 4-(4-tert-butylanilino)-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one;6-(3-chloro-2-pyridinyl)-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;1-N-[7-(2-methoxyphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-N,3-N-dimethyl-4-propan-2-ylbenzene-1,3-diamine;N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-phenyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine;N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-pyridin-2-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine;1-methyl-4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one?

4-(4-tert-butylanilino)-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one;6-(3-chloro-2-pyridinyl)-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;1-N-[7-(2-methoxyphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-N,3-N-dimethyl-4-propan-2-ylbenzene-1,3-diamine;N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-phenyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine;N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-pyridin-2-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine;1-methyl-4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one has a molecular weight of 2478.34 g/mol, XLogP of 28.04, 21 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-tert-butylanilino)-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-2-one;6-(3-chloro-2-pyridinyl)-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;1-N-[7-(2-methoxyphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-3-N,3-N-dimethyl-4-propan-2-ylbenzene-1,3-diamine;N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-phenyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine;N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-6-pyridin-2-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine;1-methyl-4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one is sourced from PubChem (CID 159261289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).