tert-butyl (2R,5S)-4-[6-chloro-2-oxo-1-(2-propan-2-yl-6-prop-2-enylphenyl)-7-(2-prop-2-enylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-(19-chloro-24-oxo-3-propan-2-yl-1,23,26-triazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,9,12,14,16,18,20,22,25-undecaen-22-yl)-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6,7-dichloro-2-oxo-1-(2-propan-2-yl-6-prop-2-enylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6,7-dichloro-1-(2-propan-2-yl-6-prop-2-enylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;phosphane;4,4,5,5-tetramethyl-2-(2-prop-2-enylphenyl)-1,3,2-dioxaborolane

C151H188BCl6N20O15P — CID 159199987

IUPACtert-butyl (2R,5S)-4-[6-chloro-2-oxo-1-(2-propan-2-yl-6-prop-2-enylphenyl)-7-(2-prop-2-enylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-(19-chloro-24-oxo-3-propan-2-yl-1,23,26-triazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,9,12,14,16,18,20,22,25-undecaen-22-yl)-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6,7-dichloro-2-oxo-1-(2-propan-2-yl-6-prop-2-enylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6,7-dichloro-1-(2-propan-2-yl-6-prop-2-enylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;phosphane;4,4,5,5-tetramethyl-2-(2-prop-2-enylphenyl)-1,3,2-dioxaborolane
SMILESC=CCc1cccc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(Cl)c(Cl)nc21.C=CCc1cccc(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.C=CCc1ccccc1-c1nc2c(cc1Cl)c(N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C)nc(=O)n2-c1c(CC=C)cccc1C(C)C.C=CCc1ccccc1B1OC(C)(C)C(C)(C)O1.CC(C)c1cccc2c1-n1c(=O)nc(N3C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]3C)c3cc(Cl)c(nc31)-c1ccccc1CC=CC2.C[C@@H]1CN[C@@H](C)CN1C(=O)OC(C)(C)C.P
InChIInChI=1S/C39H46ClN5O3.C37H42ClN5O3.C30H37Cl2N5O3.C19H17Cl2N3O2.C15H21BO2.C11H22N2O2.H3P/c1-10-15-27-17-12-13-19-30(27)33-32(40)21-31-35(43-22-26(6)44(23-25(43)5)38(47)48-39(7,8)9)42-37(46)45(36(31)41-33)34-28(16-11-2)18-14-20-29(34)24(3)4;1-22(2)27-18-12-16-26-15-9-8-13-25-14-10-11-17-28(25)31-30(38)19-29-33(40-35(44)43(32(26)27)34(29)39-31)41-20-24(4)42(21-23(41)3)36(45)46-37(5,6)7;1-9-11-20-12-10-13-21(17(2)3)24(20)37-27-22(14-23(31)25(32)33-27)26(34-28(37)38)35-15-19(5)36(16-18(35)4)29(39)40-30(6,7)8;1-4-6-11-7-5-8-12(10(2)3)15(11)24-17-13(18(25)23-19(24)26)9-14(20)16(21)22-17;1-6-9-12-10-7-8-11-13(12)16-17-14(2,3)15(4,5)18-16;1-8-7-13(9(2)6-12-8)10(14)15-11(3,4)5;/h10-14,17-21,24-26H,1-2,15-16,22-23H2,3-9H3;8-12,14,16-19,22-24H,13,15,20-21H2,1-7H3;9-10,12-14,17-19H,1,11,15-16H2,2-8H3;4-5,7-10H,1,6H2,2-3H3,(H,23,25,26);6-8,10-11H,1,9H2,2-5H3;8-9,12H,6-7H2,1-5H3;1H3/t25-,26+;23-,24+;18-,19+;;;8-,9+;/m000..0./s1
InChIKeyKPDWRPKJAMTKEG-YVKWOUNOSA-N
MW2777.79 g/mol
LogP31.61
Rot. Bonds22

About tert-butyl (2R,5S)-4-[6-chloro-2-oxo-1-(2-propan-2-yl-6-prop-2-enylphenyl)-7-(2-prop-2-enylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-(19-chloro-24-oxo-3-propan-2-yl-1,23,26-triazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,9,12,14,16,18,20,22,25-undecaen-22-yl)-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6,7-dichloro-2-oxo-1-(2-propan-2-yl-6-prop-2-enylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6,7-dichloro-1-(2-propan-2-yl-6-prop-2-enylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;phosphane;4,4,5,5-tetramethyl-2-(2-prop-2-enylphenyl)-1,3,2-dioxaborolane

tert-butyl (2R,5S)-4-[6-chloro-2-oxo-1-(2-propan-2-yl-6-prop-2-enylphenyl)-7-(2-prop-2-enylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-(19-chloro-24-oxo-3-propan-2-yl-1,23,26-triazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,9,12,14,16,18,20,22,25-undecaen-22-yl)-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6,7-dichloro-2-oxo-1-(2-propan-2-yl-6-prop-2-enylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6,7-dichloro-1-(2-propan-2-yl-6-prop-2-enylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;phosphane;4,4,5,5-tetramethyl-2-(2-prop-2-enylphenyl)-1,3,2-dioxaborolane (PubChem CID 159199987) has the molecular formula C151H188BCl6N20O15P and a molecular weight of 2777.79 g/mol. Its IUPAC name is tert-butyl (2R,5S)-4-[6-chloro-2-oxo-1-(2-propan-2-yl-6-prop-2-enylphenyl)-7-(2-prop-2-enylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-(19-chloro-24-oxo-3-propan-2-yl-1,23,26-triazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,9,12,14,16,18,20,22,25-undecaen-22-yl)-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6,7-dichloro-2-oxo-1-(2-propan-2-yl-6-prop-2-enylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6,7-dichloro-1-(2-propan-2-yl-6-prop-2-enylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;phosphane;4,4,5,5-tetramethyl-2-(2-prop-2-enylphenyl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Nametert-butyl (2R,5S)-4-[6-chloro-2-oxo-1-(2-propan-2-yl-6-prop-2-enylphenyl)-7-(2-prop-2-enylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-(19-chloro-24-oxo-3-propan-2-yl-1,23,26-triazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,9,12,14,16,18,20,22,25-undecaen-22-yl)-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6,7-dichloro-2-oxo-1-(2-propan-2-yl-6-prop-2-enylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6,7-dichloro-1-(2-propan-2-yl-6-prop-2-enylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;phosphane;4,4,5,5-tetramethyl-2-(2-prop-2-enylphenyl)-1,3,2-dioxaborolane
PubChem CID159199987
Molecular FormulaC151H188BCl6N20O15P
Molecular Weight2777.79 g/mol
Exact Mass2773.25
IUPAC Nametert-butyl (2R,5S)-4-[6-chloro-2-oxo-1-(2-propan-2-yl-6-prop-2-enylphenyl)-7-(2-prop-2-enylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-(19-chloro-24-oxo-3-propan-2-yl-1,23,26-triazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,9,12,14,16,18,20,22,25-undecaen-22-yl)-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6,7-dichloro-2-oxo-1-(2-propan-2-yl-6-prop-2-enylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6,7-dichloro-1-(2-propan-2-yl-6-prop-2-enylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;phosphane;4,4,5,5-tetramethyl-2-(2-prop-2-enylphenyl)-1,3,2-dioxaborolane
SMILESC=CCc1cccc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(Cl)c(Cl)nc21.C=CCc1cccc(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.C=CCc1ccccc1-c1nc2c(cc1Cl)c(N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C)nc(=O)n2-c1c(CC=C)cccc1C(C)C.C=CCc1ccccc1B1OC(C)(C)C(C)(C)O1.CC(C)c1cccc2c1-n1c(=O)nc(N3C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]3C)c3cc(Cl)c(nc31)-c1ccccc1CC=CC2.C[C@@H]1CN[C@@H](C)CN1C(=O)OC(C)(C)C.P
InChIInChI=1S/C39H46ClN5O3.C37H42ClN5O3.C30H37Cl2N5O3.C19H17Cl2N3O2.C15H21BO2.C11H22N2O2.H3P/c1-10-15-27-17-12-13-19-30(27)33-32(40)21-31-35(43-22-26(6)44(23-25(43)5)38(47)48-39(7,8)9)42-37(46)45(36(31)41-33)34-28(16-11-2)18-14-20-29(34)24(3)4;1-22(2)27-18-12-16-26-15-9-8-13-25-14-10-11-17-28(25)31-30(38)19-29-33(40-35(44)43(32(26)27)34(29)39-31)41-20-24(4)42(21-23(41)3)36(45)46-37(5,6)7;1-9-11-20-12-10-13-21(17(2)3)24(20)37-27-22(14-23(31)25(32)33-27)26(34-28(37)38)35-15-19(5)36(16-18(35)4)29(39)40-30(6,7)8;1-4-6-11-7-5-8-12(10(2)3)15(11)24-17-13(18(25)23-19(24)26)9-14(20)16(21)22-17;1-6-9-12-10-7-8-11-13(12)16-17-14(2,3)15(4,5)18-16;1-8-7-13(9(2)6-12-8)10(14)15-11(3,4)5;/h10-14,17-21,24-26H,1-2,15-16,22-23H2,3-9H3;8-12,14,16-19,22-24H,13,15,20-21H2,1-7H3;9-10,12-14,17-19H,1,11,15-16H2,2-8H3;4-5,7-10H,1,6H2,2-3H3,(H,23,25,26);6-8,10-11H,1,9H2,2-5H3;8-9,12H,6-7H2,1-5H3;1H3/t25-,26+;23-,24+;18-,19+;;;8-,9+;/m000..0./s1
InChIKeyKPDWRPKJAMTKEG-YVKWOUNOSA-N
XLogP31.61
TPSA369.46 Ų
H-Bond Donors2
H-Bond Acceptors30
Rotatable Bonds22
Heavy Atoms194
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002777.79
LogP ≤ 531.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1030

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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze tert-butyl (2R,5S)-4-[6-chloro-2-oxo-1-(2-propan-2-yl-6-prop-2-enylphenyl)-7-(2-prop-2-enylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-(19-chloro-24-oxo-3-propan-2-yl-1,23,26-triazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,9,12,14,16,18,20,22,25-undecaen-22-yl)-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6,7-dichloro-2-oxo-1-(2-propan-2-yl-6-prop-2-enylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6,7-dichloro-1-(2-propan-2-yl-6-prop-2-enylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;phosphane;4,4,5,5-tetramethyl-2-(2-prop-2-enylphenyl)-1,3,2-dioxaborolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,5S)-4-[6-chloro-2-oxo-1-(2-propan-2-yl-6-prop-2-enylphenyl)-7-(2-prop-2-enylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-(19-chloro-24-oxo-3-propan-2-yl-1,23,26-triazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,9,12,14,16,18,20,22,25-undecaen-22-yl)-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6,7-dichloro-2-oxo-1-(2-propan-2-yl-6-prop-2-enylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6,7-dichloro-1-(2-propan-2-yl-6-prop-2-enylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;phosphane;4,4,5,5-tetramethyl-2-(2-prop-2-enylphenyl)-1,3,2-dioxaborolane?
The IUPAC name of tert-butyl (2R,5S)-4-[6-chloro-2-oxo-1-(2-propan-2-yl-6-prop-2-enylphenyl)-7-(2-prop-2-enylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-(19-chloro-24-oxo-3-propan-2-yl-1,23,26-triazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,9,12,14,16,18,20,22,25-undecaen-22-yl)-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6,7-dichloro-2-oxo-1-(2-propan-2-yl-6-prop-2-enylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6,7-dichloro-1-(2-propan-2-yl-6-prop-2-enylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;phosphane;4,4,5,5-tetramethyl-2-(2-prop-2-enylphenyl)-1,3,2-dioxaborolane (CID 159199987) is tert-butyl (2R,5S)-4-[6-chloro-2-oxo-1-(2-propan-2-yl-6-prop-2-enylphenyl)-7-(2-prop-2-enylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-(19-chloro-24-oxo-3-propan-2-yl-1,23,26-triazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,9,12,14,16,18,20,22,25-undecaen-22-yl)-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6,7-dichloro-2-oxo-1-(2-propan-2-yl-6-prop-2-enylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6,7-dichloro-1-(2-propan-2-yl-6-prop-2-enylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;phosphane;4,4,5,5-tetramethyl-2-(2-prop-2-enylphenyl)-1,3,2-dioxaborolane.
What is the SMILES notation for tert-butyl (2R,5S)-4-[6-chloro-2-oxo-1-(2-propan-2-yl-6-prop-2-enylphenyl)-7-(2-prop-2-enylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-(19-chloro-24-oxo-3-propan-2-yl-1,23,26-triazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,9,12,14,16,18,20,22,25-undecaen-22-yl)-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6,7-dichloro-2-oxo-1-(2-propan-2-yl-6-prop-2-enylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6,7-dichloro-1-(2-propan-2-yl-6-prop-2-enylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;phosphane;4,4,5,5-tetramethyl-2-(2-prop-2-enylphenyl)-1,3,2-dioxaborolane?
The canonical SMILES for tert-butyl (2R,5S)-4-[6-chloro-2-oxo-1-(2-propan-2-yl-6-prop-2-enylphenyl)-7-(2-prop-2-enylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-(19-chloro-24-oxo-3-propan-2-yl-1,23,26-triazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,9,12,14,16,18,20,22,25-undecaen-22-yl)-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6,7-dichloro-2-oxo-1-(2-propan-2-yl-6-prop-2-enylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6,7-dichloro-1-(2-propan-2-yl-6-prop-2-enylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;phosphane;4,4,5,5-tetramethyl-2-(2-prop-2-enylphenyl)-1,3,2-dioxaborolane is C=CCc1cccc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(Cl)c(Cl)nc21.C=CCc1cccc(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.C=CCc1ccccc1-c1nc2c(cc1Cl)c(N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C)nc(=O)n2-c1c(CC=C)cccc1C(C)C.C=CCc1ccccc1B1OC(C)(C)C(C)(C)O1.CC(C)c1cccc2c1-n1c(=O)nc(N3C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]3C)c3cc(Cl)c(nc31)-c1ccccc1CC=CC2.C[C@@H]1CN[C@@H](C)CN1C(=O)OC(C)(C)C.P.
What is the InChIKey of tert-butyl (2R,5S)-4-[6-chloro-2-oxo-1-(2-propan-2-yl-6-prop-2-enylphenyl)-7-(2-prop-2-enylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-(19-chloro-24-oxo-3-propan-2-yl-1,23,26-triazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,9,12,14,16,18,20,22,25-undecaen-22-yl)-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6,7-dichloro-2-oxo-1-(2-propan-2-yl-6-prop-2-enylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6,7-dichloro-1-(2-propan-2-yl-6-prop-2-enylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;phosphane;4,4,5,5-tetramethyl-2-(2-prop-2-enylphenyl)-1,3,2-dioxaborolane?
The InChIKey is KPDWRPKJAMTKEG-YVKWOUNOSA-N. The full InChI is InChI=1S/C39H46ClN5O3.C37H42ClN5O3.C30H37Cl2N5O3.C19H17Cl2N3O2.C15H21BO2.C11H22N2O2.H3P/c1-10-15-27-17-12-13-19-30(27)33-32(40)21-31-35(43-22-26(6)44(23-25(43)5)38(47)48-39(7,8)9)42-37(46)45(36(31)41-33)34-28(16-11-2)18-14-20-29(34)24(3)4;1-22(2)27-18-12-16-26-15-9-8-13-25-14-10-11-17-28(25)31-30(38)19-29-33(40-35(44)43(32(26)27)34(29)39-31)41-20-24(4)42(21-23(41)3)36(45)46-37(5,6)7;1-9-11-20-12-10-13-21(17(2)3)24(20)37-27-22(14-23(31)25(32)33-27)26(34-28(37)38)35-15-19(5)36(16-18(35)4)29(39)40-30(6,7)8;1-4-6-11-7-5-8-12(10(2)3)15(11)24-17-13(18(25)23-19(24)26)9-14(20)16(21)22-17;1-6-9-12-10-7-8-11-13(12)16-17-14(2,3)15(4,5)18-16;1-8-7-13(9(2)6-12-8)10(14)15-11(3,4)5;/h10-14,17-21,24-26H,1-2,15-16,22-23H2,3-9H3;8-12,14,16-19,22-24H,13,15,20-21H2,1-7H3;9-10,12-14,17-19H,1,11,15-16H2,2-8H3;4-5,7-10H,1,6H2,2-3H3,(H,23,25,26);6-8,10-11H,1,9H2,2-5H3;8-9,12H,6-7H2,1-5H3;1H3/t25-,26+;23-,24+;18-,19+;;;8-,9+;/m000..0./s1.
What are the key properties of tert-butyl (2R,5S)-4-[6-chloro-2-oxo-1-(2-propan-2-yl-6-prop-2-enylphenyl)-7-(2-prop-2-enylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-(19-chloro-24-oxo-3-propan-2-yl-1,23,26-triazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,9,12,14,16,18,20,22,25-undecaen-22-yl)-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6,7-dichloro-2-oxo-1-(2-propan-2-yl-6-prop-2-enylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6,7-dichloro-1-(2-propan-2-yl-6-prop-2-enylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;phosphane;4,4,5,5-tetramethyl-2-(2-prop-2-enylphenyl)-1,3,2-dioxaborolane?
tert-butyl (2R,5S)-4-[6-chloro-2-oxo-1-(2-propan-2-yl-6-prop-2-enylphenyl)-7-(2-prop-2-enylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-(19-chloro-24-oxo-3-propan-2-yl-1,23,26-triazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,9,12,14,16,18,20,22,25-undecaen-22-yl)-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6,7-dichloro-2-oxo-1-(2-propan-2-yl-6-prop-2-enylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6,7-dichloro-1-(2-propan-2-yl-6-prop-2-enylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;phosphane;4,4,5,5-tetramethyl-2-(2-prop-2-enylphenyl)-1,3,2-dioxaborolane has a molecular weight of 2777.79 g/mol, XLogP of 31.61, 22 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,5S)-4-[6-chloro-2-oxo-1-(2-propan-2-yl-6-prop-2-enylphenyl)-7-(2-prop-2-enylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-(19-chloro-24-oxo-3-propan-2-yl-1,23,26-triazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,9,12,14,16,18,20,22,25-undecaen-22-yl)-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6,7-dichloro-2-oxo-1-(2-propan-2-yl-6-prop-2-enylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6,7-dichloro-1-(2-propan-2-yl-6-prop-2-enylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;phosphane;4,4,5,5-tetramethyl-2-(2-prop-2-enylphenyl)-1,3,2-dioxaborolane is sourced from PubChem (CID 159199987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).