1-[(3S,5S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloroquinazolin-4-yl]-3,5-dimethylpiperazin-1-yl]prop-2-en-1-one;7-bromo-4,6-dichloroquinazoline;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine;tert-butyl (3S,5S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloroquinazolin-4-yl]-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-4-(7-bromo-6-chloroquinazolin-4-yl)-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-4-[6-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-3,5-dimethylpiperazine-1-carboxylate;prop-2-enoyl chloride;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C135H172B3Br3Cl7F9N26O16 — CID 159954736

IUPAC1-[(3S,5S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloroquinazolin-4-yl]-3,5-dimethylpiperazin-1-yl]prop-2-en-1-one;7-bromo-4,6-dichloroquinazoline;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine;tert-butyl (3S,5S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloroquinazolin-4-yl]-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-4-(7-bromo-6-chloroquinazolin-4-yl)-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-4-[6-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-3,5-dimethylpiperazine-1-carboxylate;prop-2-enoyl chloride;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESC=CC(=O)Cl.C=CC(=O)N1C[C@H](C)N(c2ncnc3cc(-c4nc(N)cc(C)c4C(F)(F)F)c(Cl)cc23)[C@@H](C)C1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1.C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1c1ncnc2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)cc12.C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1c1ncnc2cc(Br)c(Cl)cc12.Cc1cc(N)nc(-c2cc3ncnc(N4[C@@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]4C)c3cc2Cl)c1C(F)(F)F.Cc1cc(N)nc(Br)c1C(F)(F)F.Clc1cc2c(Cl)ncnc2cc1Br
InChIInChI=1S/C26H30ClF3N6O2.C25H36BClN4O4.C24H24ClF3N6O.C19H24BrClN4O2.C12H24B2O4.C11H22N2O2.C8H3BrCl2N2.C7H6BrF3N2.C3H3ClO/c1-13-7-20(31)34-22(21(13)26(28,29)30)16-9-19-17(8-18(16)27)23(33-12-32-19)36-14(2)10-35(11-15(36)3)24(37)38-25(4,5)6;1-15-12-30(22(32)33-23(3,4)5)13-16(2)31(15)21-17-10-19(27)18(11-20(17)28-14-29-21)26-34-24(6,7)25(8,9)35-26;1-5-20(35)33-9-13(3)34(14(4)10-33)23-16-7-17(25)15(8-18(16)30-11-31-23)22-21(24(26,27)28)12(2)6-19(29)32-22;1-11-8-24(18(26)27-19(3,4)5)9-12(2)25(11)17-13-6-15(21)14(20)7-16(13)22-10-23-17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-8-6-13(7-9(2)12-8)10(14)15-11(3,4)5;9-5-2-7-4(1-6(5)10)8(11)13-3-12-7;1-3-2-4(12)13-6(8)5(3)7(9,10)11;1-2-3(4)5/h7-9,12,14-15H,10-11H2,1-6H3,(H2,31,34);10-11,14-16H,12-13H2,1-9H3;5-8,11,13-14H,1,9-10H2,2-4H3,(H2,29,32);6-7,10-12H,8-9H2,1-5H3;1-8H3;8-9,12H,6-7H2,1-5H3;1-3H;2H,1H3,(H2,12,13);2H,1H2/t14-,15-;15-,16-;13-,14-;11-,12-;;8-,9-;;;/m0000.0.../s1
InChIKeyOCOLIONNLDHWLT-PCZGWBMASA-N
MW3106.33 g/mol
LogP31.49
Rot. Bonds10

About 1-[(3S,5S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloroquinazolin-4-yl]-3,5-dimethylpiperazin-1-yl]prop-2-en-1-one;7-bromo-4,6-dichloroquinazoline;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine;tert-butyl (3S,5S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloroquinazolin-4-yl]-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-4-(7-bromo-6-chloroquinazolin-4-yl)-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-4-[6-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-3,5-dimethylpiperazine-1-carboxylate;prop-2-enoyl chloride;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

1-[(3S,5S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloroquinazolin-4-yl]-3,5-dimethylpiperazin-1-yl]prop-2-en-1-one;7-bromo-4,6-dichloroquinazoline;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine;tert-butyl (3S,5S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloroquinazolin-4-yl]-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-4-(7-bromo-6-chloroquinazolin-4-yl)-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-4-[6-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-3,5-dimethylpiperazine-1-carboxylate;prop-2-enoyl chloride;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 159954736) has the molecular formula C135H172B3Br3Cl7F9N26O16 and a molecular weight of 3106.33 g/mol. Its IUPAC name is 1-[(3S,5S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloroquinazolin-4-yl]-3,5-dimethylpiperazin-1-yl]prop-2-en-1-one;7-bromo-4,6-dichloroquinazoline;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine;tert-butyl (3S,5S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloroquinazolin-4-yl]-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-4-(7-bromo-6-chloroquinazolin-4-yl)-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-4-[6-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-3,5-dimethylpiperazine-1-carboxylate;prop-2-enoyl chloride;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name1-[(3S,5S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloroquinazolin-4-yl]-3,5-dimethylpiperazin-1-yl]prop-2-en-1-one;7-bromo-4,6-dichloroquinazoline;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine;tert-butyl (3S,5S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloroquinazolin-4-yl]-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-4-(7-bromo-6-chloroquinazolin-4-yl)-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-4-[6-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-3,5-dimethylpiperazine-1-carboxylate;prop-2-enoyl chloride;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID159954736
Molecular FormulaC135H172B3Br3Cl7F9N26O16
Molecular Weight3106.33 g/mol
Exact Mass3098.89
IUPAC Name1-[(3S,5S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloroquinazolin-4-yl]-3,5-dimethylpiperazin-1-yl]prop-2-en-1-one;7-bromo-4,6-dichloroquinazoline;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine;tert-butyl (3S,5S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloroquinazolin-4-yl]-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-4-(7-bromo-6-chloroquinazolin-4-yl)-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-4-[6-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-3,5-dimethylpiperazine-1-carboxylate;prop-2-enoyl chloride;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESC=CC(=O)Cl.C=CC(=O)N1C[C@H](C)N(c2ncnc3cc(-c4nc(N)cc(C)c4C(F)(F)F)c(Cl)cc23)[C@@H](C)C1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1.C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1c1ncnc2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)cc12.C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1c1ncnc2cc(Br)c(Cl)cc12.Cc1cc(N)nc(-c2cc3ncnc(N4[C@@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]4C)c3cc2Cl)c1C(F)(F)F.Cc1cc(N)nc(Br)c1C(F)(F)F.Clc1cc2c(Cl)ncnc2cc1Br
InChIInChI=1S/C26H30ClF3N6O2.C25H36BClN4O4.C24H24ClF3N6O.C19H24BrClN4O2.C12H24B2O4.C11H22N2O2.C8H3BrCl2N2.C7H6BrF3N2.C3H3ClO/c1-13-7-20(31)34-22(21(13)26(28,29)30)16-9-19-17(8-18(16)27)23(33-12-32-19)36-14(2)10-35(11-15(36)3)24(37)38-25(4,5)6;1-15-12-30(22(32)33-23(3,4)5)13-16(2)31(15)21-17-10-19(27)18(11-20(17)28-14-29-21)26-34-24(6,7)25(8,9)35-26;1-5-20(35)33-9-13(3)34(14(4)10-33)23-16-7-17(25)15(8-18(16)30-11-31-23)22-21(24(26,27)28)12(2)6-19(29)32-22;1-11-8-24(18(26)27-19(3,4)5)9-12(2)25(11)17-13-6-15(21)14(20)7-16(13)22-10-23-17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-8-6-13(7-9(2)12-8)10(14)15-11(3,4)5;9-5-2-7-4(1-6(5)10)8(11)13-3-12-7;1-3-2-4(12)13-6(8)5(3)7(9,10)11;1-2-3(4)5/h7-9,12,14-15H,10-11H2,1-6H3,(H2,31,34);10-11,14-16H,12-13H2,1-9H3;5-8,11,13-14H,1,9-10H2,2-4H3,(H2,29,32);6-7,10-12H,8-9H2,1-5H3;1-8H3;8-9,12H,6-7H2,1-5H3;1-3H;2H,1H3,(H2,12,13);2H,1H2/t14-,15-;15-,16-;13-,14-;11-,12-;;8-,9-;;;/m0000.0.../s1
InChIKeyOCOLIONNLDHWLT-PCZGWBMASA-N
XLogP31.49
TPSA481.54 Ų
H-Bond Donors4
H-Bond Acceptors37
Rotatable Bonds10
Heavy Atoms199
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003106.33
LogP ≤ 531.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze 1-[(3S,5S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloroquinazolin-4-yl]-3,5-dimethylpiperazin-1-yl]prop-2-en-1-one;7-bromo-4,6-dichloroquinazoline;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine;tert-butyl (3S,5S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloroquinazolin-4-yl]-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-4-(7-bromo-6-chloroquinazolin-4-yl)-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-4-[6-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-3,5-dimethylpiperazine-1-carboxylate;prop-2-enoyl chloride;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S,5S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloroquinazolin-4-yl]-3,5-dimethylpiperazin-1-yl]prop-2-en-1-one;7-bromo-4,6-dichloroquinazoline;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine;tert-butyl (3S,5S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloroquinazolin-4-yl]-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-4-(7-bromo-6-chloroquinazolin-4-yl)-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-4-[6-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-3,5-dimethylpiperazine-1-carboxylate;prop-2-enoyl chloride;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 1-[(3S,5S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloroquinazolin-4-yl]-3,5-dimethylpiperazin-1-yl]prop-2-en-1-one;7-bromo-4,6-dichloroquinazoline;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine;tert-butyl (3S,5S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloroquinazolin-4-yl]-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-4-(7-bromo-6-chloroquinazolin-4-yl)-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-4-[6-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-3,5-dimethylpiperazine-1-carboxylate;prop-2-enoyl chloride;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 159954736) is 1-[(3S,5S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloroquinazolin-4-yl]-3,5-dimethylpiperazin-1-yl]prop-2-en-1-one;7-bromo-4,6-dichloroquinazoline;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine;tert-butyl (3S,5S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloroquinazolin-4-yl]-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-4-(7-bromo-6-chloroquinazolin-4-yl)-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-4-[6-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-3,5-dimethylpiperazine-1-carboxylate;prop-2-enoyl chloride;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 1-[(3S,5S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloroquinazolin-4-yl]-3,5-dimethylpiperazin-1-yl]prop-2-en-1-one;7-bromo-4,6-dichloroquinazoline;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine;tert-butyl (3S,5S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloroquinazolin-4-yl]-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-4-(7-bromo-6-chloroquinazolin-4-yl)-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-4-[6-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-3,5-dimethylpiperazine-1-carboxylate;prop-2-enoyl chloride;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 1-[(3S,5S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloroquinazolin-4-yl]-3,5-dimethylpiperazin-1-yl]prop-2-en-1-one;7-bromo-4,6-dichloroquinazoline;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine;tert-butyl (3S,5S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloroquinazolin-4-yl]-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-4-(7-bromo-6-chloroquinazolin-4-yl)-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-4-[6-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-3,5-dimethylpiperazine-1-carboxylate;prop-2-enoyl chloride;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is C=CC(=O)Cl.C=CC(=O)N1C[C@H](C)N(c2ncnc3cc(-c4nc(N)cc(C)c4C(F)(F)F)c(Cl)cc23)[C@@H](C)C1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1.C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1c1ncnc2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)cc12.C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1c1ncnc2cc(Br)c(Cl)cc12.Cc1cc(N)nc(-c2cc3ncnc(N4[C@@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]4C)c3cc2Cl)c1C(F)(F)F.Cc1cc(N)nc(Br)c1C(F)(F)F.Clc1cc2c(Cl)ncnc2cc1Br.
What is the InChIKey of 1-[(3S,5S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloroquinazolin-4-yl]-3,5-dimethylpiperazin-1-yl]prop-2-en-1-one;7-bromo-4,6-dichloroquinazoline;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine;tert-butyl (3S,5S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloroquinazolin-4-yl]-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-4-(7-bromo-6-chloroquinazolin-4-yl)-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-4-[6-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-3,5-dimethylpiperazine-1-carboxylate;prop-2-enoyl chloride;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is OCOLIONNLDHWLT-PCZGWBMASA-N. The full InChI is InChI=1S/C26H30ClF3N6O2.C25H36BClN4O4.C24H24ClF3N6O.C19H24BrClN4O2.C12H24B2O4.C11H22N2O2.C8H3BrCl2N2.C7H6BrF3N2.C3H3ClO/c1-13-7-20(31)34-22(21(13)26(28,29)30)16-9-19-17(8-18(16)27)23(33-12-32-19)36-14(2)10-35(11-15(36)3)24(37)38-25(4,5)6;1-15-12-30(22(32)33-23(3,4)5)13-16(2)31(15)21-17-10-19(27)18(11-20(17)28-14-29-21)26-34-24(6,7)25(8,9)35-26;1-5-20(35)33-9-13(3)34(14(4)10-33)23-16-7-17(25)15(8-18(16)30-11-31-23)22-21(24(26,27)28)12(2)6-19(29)32-22;1-11-8-24(18(26)27-19(3,4)5)9-12(2)25(11)17-13-6-15(21)14(20)7-16(13)22-10-23-17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-8-6-13(7-9(2)12-8)10(14)15-11(3,4)5;9-5-2-7-4(1-6(5)10)8(11)13-3-12-7;1-3-2-4(12)13-6(8)5(3)7(9,10)11;1-2-3(4)5/h7-9,12,14-15H,10-11H2,1-6H3,(H2,31,34);10-11,14-16H,12-13H2,1-9H3;5-8,11,13-14H,1,9-10H2,2-4H3,(H2,29,32);6-7,10-12H,8-9H2,1-5H3;1-8H3;8-9,12H,6-7H2,1-5H3;1-3H;2H,1H3,(H2,12,13);2H,1H2/t14-,15-;15-,16-;13-,14-;11-,12-;;8-,9-;;;/m0000.0.../s1.
What are the key properties of 1-[(3S,5S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloroquinazolin-4-yl]-3,5-dimethylpiperazin-1-yl]prop-2-en-1-one;7-bromo-4,6-dichloroquinazoline;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine;tert-butyl (3S,5S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloroquinazolin-4-yl]-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-4-(7-bromo-6-chloroquinazolin-4-yl)-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-4-[6-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-3,5-dimethylpiperazine-1-carboxylate;prop-2-enoyl chloride;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
1-[(3S,5S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloroquinazolin-4-yl]-3,5-dimethylpiperazin-1-yl]prop-2-en-1-one;7-bromo-4,6-dichloroquinazoline;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine;tert-butyl (3S,5S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloroquinazolin-4-yl]-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-4-(7-bromo-6-chloroquinazolin-4-yl)-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-4-[6-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-3,5-dimethylpiperazine-1-carboxylate;prop-2-enoyl chloride;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 3106.33 g/mol, XLogP of 31.49, 10 rotatable bonds, 4 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,5S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloroquinazolin-4-yl]-3,5-dimethylpiperazin-1-yl]prop-2-en-1-one;7-bromo-4,6-dichloroquinazoline;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine;tert-butyl (3S,5S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloroquinazolin-4-yl]-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-4-(7-bromo-6-chloroquinazolin-4-yl)-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-4-[6-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]-3,5-dimethylpiperazine-1-carboxylate;tert-butyl (3S,5S)-3,5-dimethylpiperazine-1-carboxylate;prop-2-enoyl chloride;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 159954736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).