tert-butyl (2R,5S)-4-[6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidine-2,4-dione;2-(2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C138H172BCl6F3N24O14 — CID 162223303

About tert-butyl (2R,5S)-4-[6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidine-2,4-dione;2-(2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

tert-butyl (2R,5S)-4-[6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidine-2,4-dione;2-(2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 162223303) has the molecular formula C138H172BCl6F3N24O14 and a molecular weight of 2671.57 g/mol. Its IUPAC name is tert-butyl (2R,5S)-4-[6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidine-2,4-dione;2-(2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: tert-butyl (2R,5S)-4-[6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidine-2,4-dione;2-(2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• PubChem CID: 162223303
• Molecular Formula: C138H172BCl6F3N24O14
• Molecular Weight: 2671.57 g/mol
• Exact Mass: 2667.17
• IUPAC Name: tert-butyl (2R,5S)-4-[6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidine-2,4-dione;2-(2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• SMILES: C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(C(C)C)ccnc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)C[C@H]1C.CC(C)c1ccnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(Cl)c(Cl)nc21.CC(C)c1ccnc(C(C)C)c1-n1c(=O)nc(N2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c2cc(Cl)c(-c3ccccc3F)nc21.CC(C)c1ccnc(C(C)C)c1-n1c(=O)nc(N2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c2cc(Cl)c(Cl)nc21.CC1(C)OB(c2ccccc2F)OC1(C)C.C[C@@H]1CN[C@@H](C)CN1C(=O)OC(C)(C)C
• InChI: InChI=1S/C35H42ClFN6O3.C33H36ClFN6O2.C29H38Cl2N6O3.C18H18Cl2N4O2.C12H16BFO2.C11H22N2O2/c1-19(2)23-14-15-38-28(20(3)4)30(23)43-32-25(16-26(36)29(39-32)24-12-10-11-13-27(24)37)31(40-33(43)44)41-17-22(6)42(18-21(41)5)34(45)46-35(7,8)9;1-8-27(42)39-16-21(7)40(17-20(39)6)31-24-15-25(34)29(23-11-9-10-12-26(23)35)37-32(24)41(33(43)38-31)30-22(18(2)3)13-14-36-28(30)19(4)5;1-15(2)19-10-11-32-22(16(3)4)23(19)37-26-20(12-21(30)24(31)33-26)25(34-27(37)38)35-13-18(6)36(14-17(35)5)28(39)40-29(7,8)9;1-8(2)10-5-6-21-13(9(3)4)14(10)24-16-11(17(25)23-18(24)26)7-12(19)15(20)22-16;1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10(9)14;1-8-7-13(9(2)6-12-8)10(14)15-11(3,4)5/h10-16,19-22H,17-18H2,1-9H3;8-15,18-21H,1,16-17H2,2-7H3;10-12,15-18H,13-14H2,1-9H3;5-9H,1-4H3,(H,23,25,26);5-8H,1-4H3;8-9,12H,6-7H2,1-5H3/t21-,22+;20-,21+;17-,18+;;;8-,9+/m010..0/s1
• InChIKey: ZUKPJXOWQUIJNL-JMLMJJGNSA-N
• XLogP: 28.52
• TPSA: 411.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 33
• Rotatable Bonds: 19
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2671.57
LogP ≤ 5	28.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,5S)-4-[6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidine-2,4-dione;2-(2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The IUPAC name of tert-butyl (2R,5S)-4-[6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidine-2,4-dione;2-(2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 162223303) is tert-butyl (2R,5S)-4-[6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidine-2,4-dione;2-(2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

What is the SMILES notation for tert-butyl (2R,5S)-4-[6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidine-2,4-dione;2-(2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The canonical SMILES for tert-butyl (2R,5S)-4-[6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidine-2,4-dione;2-(2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(-c3c(C(C)C)ccnc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)C[C@H]1C.CC(C)c1ccnc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(Cl)c(Cl)nc21.CC(C)c1ccnc(C(C)C)c1-n1c(=O)nc(N2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c2cc(Cl)c(-c3ccccc3F)nc21.CC(C)c1ccnc(C(C)C)c1-n1c(=O)nc(N2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c2cc(Cl)c(Cl)nc21.CC1(C)OB(c2ccccc2F)OC1(C)C.C[C@@H]1CN[C@@H](C)CN1C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl (2R,5S)-4-[6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidine-2,4-dione;2-(2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The InChIKey is ZUKPJXOWQUIJNL-JMLMJJGNSA-N. The full InChI is InChI=1S/C35H42ClFN6O3.C33H36ClFN6O2.C29H38Cl2N6O3.C18H18Cl2N4O2.C12H16BFO2.C11H22N2O2/c1-19(2)23-14-15-38-28(20(3)4)30(23)43-32-25(16-26(36)29(39-32)24-12-10-11-13-27(24)37)31(40-33(43)44)41-17-22(6)42(18-21(41)5)34(45)46-35(7,8)9;1-8-27(42)39-16-21(7)40(17-20(39)6)31-24-15-25(34)29(23-11-9-10-12-26(23)35)37-32(24)41(33(43)38-31)30-22(18(2)3)13-14-36-28(30)19(4)5;1-15(2)19-10-11-32-22(16(3)4)23(19)37-26-20(12-21(30)24(31)33-26)25(34-27(37)38)35-13-18(6)36(14-17(35)5)28(39)40-29(7,8)9;1-8(2)10-5-6-21-13(9(3)4)14(10)24-16-11(17(25)23-18(24)26)7-12(19)15(20)22-16;1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10(9)14;1-8-7-13(9(2)6-12-8)10(14)15-11(3,4)5/h10-16,19-22H,17-18H2,1-9H3;8-15,18-21H,1,16-17H2,2-7H3;10-12,15-18H,13-14H2,1-9H3;5-9H,1-4H3,(H,23,25,26);5-8H,1-4H3;8-9,12H,6-7H2,1-5H3/t21-,22+;20-,21+;17-,18+;;;8-,9+/m010..0/s1.

What are the key properties of tert-butyl (2R,5S)-4-[6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidine-2,4-dione;2-(2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

tert-butyl (2R,5S)-4-[6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidine-2,4-dione;2-(2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 2671.57 g/mol, XLogP of 28.52, 19 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2R,5S)-4-[6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one;6,7-dichloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidine-2,4-dione;2-(2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 162223303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).