4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-5-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(3-hydroxynaphthalen-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(1H-indazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one

C128H150F2N26O11 — CID 165058895

About 4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-5-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(3-hydroxynaphthalen-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(1H-indazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one

4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-5-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(3-hydroxynaphthalen-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(1H-indazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one (PubChem CID 165058895) has the molecular formula C128H150F2N26O11 and a molecular weight of 2266.77 g/mol. Its IUPAC name is 4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-5-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(3-hydroxynaphthalen-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(1H-indazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-5-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(3-hydroxynaphthalen-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(1H-indazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one
• PubChem CID: 165058895
• Molecular Formula: C128H150F2N26O11
• Molecular Weight: 2266.77 g/mol
• Exact Mass: 2265.19
• IUPAC Name: 4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-5-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(3-hydroxynaphthalen-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(1H-indazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one
• SMILES: C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3c2CCN(c2c(O)cccc2F)C3)[C@@H](C)C1.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3c2CCN(c2cc(O)cc4ccccc24)C3)C[C@H]1C.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3c2CCN(c2cc(O)ccc2F)C3)C[C@H]1C.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3c2CCN(c2cccc4[nH]ncc24)C3)C[C@H]1C
• InChI: InChI=1S/C35H40N6O3.C32H38N8O2.C31H37FN6O3.C30H35FN6O3/c1-7-31(43)39-18-24(6)40(19-23(39)5)34-28-13-15-38(29-17-26(42)16-25-10-8-9-11-27(25)29)20-30(28)41(35(44)37-34)33-22(4)12-14-36-32(33)21(2)3;1-7-28(41)38-16-22(6)39(17-21(38)5)31-23-12-14-37(26-10-8-9-25-24(26)15-34-36-25)18-27(23)40(32(42)35-31)30-20(4)11-13-33-29(30)19(2)3;1-7-27(40)36-15-21(6)37(16-20(36)5)30-23-11-13-35(25-14-22(39)8-9-24(25)32)17-26(23)38(31(41)34-30)29-19(4)10-12-33-28(29)18(2)3;1-6-25(39)34-14-15-36(20(5)16-34)29-21-11-13-35(28-22(31)8-7-9-24(28)38)17-23(21)37(30(40)33-29)27-19(4)10-12-32-26(27)18(2)3/h7-12,14,16-17,21,23-24,42H,1,13,15,18-20H2,2-6H3;7-11,13,15,19,21-22H,1,12,14,16-18H2,2-6H3,(H,34,36);7-10,12,14,18,20-21,39H,1,11,13,15-17H2,2-6H3;6-10,12,18,20,38H,1,11,13-17H2,2-5H3/t23-,24+;21-,22+;20-,21+;20-/m1110/s1
• InChIKey: QWJRPHUFTOTOBO-CDXYIBIESA-N
• XLogP: 16.97
• TPSA: 387.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 20
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2266.77
LogP ≤ 5	16.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-5-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(3-hydroxynaphthalen-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(1H-indazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one?

The IUPAC name of 4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-5-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(3-hydroxynaphthalen-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(1H-indazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one (CID 165058895) is 4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-5-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(3-hydroxynaphthalen-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(1H-indazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one.

What is the SMILES notation for 4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-5-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(3-hydroxynaphthalen-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(1H-indazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one?

The canonical SMILES for 4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-5-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(3-hydroxynaphthalen-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(1H-indazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one is C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3c2CCN(c2c(O)cccc2F)C3)[C@@H](C)C1.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3c2CCN(c2cc(O)cc4ccccc24)C3)C[C@H]1C.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3c2CCN(c2cc(O)ccc2F)C3)C[C@H]1C.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3c2CCN(c2cccc4[nH]ncc24)C3)C[C@H]1C.

What is the InChIKey of 4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-5-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(3-hydroxynaphthalen-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(1H-indazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one?

The InChIKey is QWJRPHUFTOTOBO-CDXYIBIESA-N. The full InChI is InChI=1S/C35H40N6O3.C32H38N8O2.C31H37FN6O3.C30H35FN6O3/c1-7-31(43)39-18-24(6)40(19-23(39)5)34-28-13-15-38(29-17-26(42)16-25-10-8-9-11-27(25)29)20-30(28)41(35(44)37-34)33-22(4)12-14-36-32(33)21(2)3;1-7-28(41)38-16-22(6)39(17-21(38)5)31-23-12-14-37(26-10-8-9-25-24(26)15-34-36-25)18-27(23)40(32(42)35-31)30-20(4)11-13-33-29(30)19(2)3;1-7-27(40)36-15-21(6)37(16-20(36)5)30-23-11-13-35(25-14-22(39)8-9-24(25)32)17-26(23)38(31(41)34-30)29-19(4)10-12-33-28(29)18(2)3;1-6-25(39)34-14-15-36(20(5)16-34)29-21-11-13-35(28-22(31)8-7-9-24(28)38)17-23(21)37(30(40)33-29)27-19(4)10-12-32-26(27)18(2)3/h7-12,14,16-17,21,23-24,42H,1,13,15,18-20H2,2-6H3;7-11,13,15,19,21-22H,1,12,14,16-18H2,2-6H3,(H,34,36);7-10,12,14,18,20-21,39H,1,11,13,15-17H2,2-6H3;6-10,12,18,20,38H,1,11,13-17H2,2-5H3/t23-,24+;21-,22+;20-,21+;20-/m1110/s1.

What are the key properties of 4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-5-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(3-hydroxynaphthalen-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(1H-indazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one?

4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-5-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(3-hydroxynaphthalen-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(1H-indazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one has a molecular weight of 2266.77 g/mol, XLogP of 16.97, 20 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(2-fluoro-5-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(3-hydroxynaphthalen-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(1H-indazol-4-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one;7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-one is sourced from PubChem (CID 165058895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).