2-[4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;2-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperidin-3-yl]acetonitrile;6-bromo-5-tert-butyl-4-methylpyridin-2-amine;7-bromo-2,4,6-trichloroquinazoline;tert-butyl 4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-bromo-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-2,6-dichloroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;2-fluoroprop-2-enoic acid;iodophosphane;[(2S)-1-methylpyrrolidin-2-yl]methanol;2-piperidin-3-ylacetonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrofluoride

C211H268B3Br4Cl10F12IN47O23P — CID 160726564

About 2-[4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;2-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperidin-3-yl]acetonitrile;6-bromo-5-tert-butyl-4-methylpyridin-2-amine;7-bromo-2,4,6-trichloroquinazoline;tert-butyl 4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-bromo-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-2,6-dichloroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;2-fluoroprop-2-enoic acid;iodophosphane;[(2S)-1-methylpyrrolidin-2-yl]methanol;2-piperidin-3-ylacetonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrofluoride

2-[4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;2-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperidin-3-yl]acetonitrile;6-bromo-5-tert-butyl-4-methylpyridin-2-amine;7-bromo-2,4,6-trichloroquinazoline;tert-butyl 4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-bromo-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-2,6-dichloroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;2-fluoroprop-2-enoic acid;iodophosphane;[(2S)-1-methylpyrrolidin-2-yl]methanol;2-piperidin-3-ylacetonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrofluoride (PubChem CID 160726564) has the molecular formula C211H268B3Br4Cl10F12IN47O23P and a molecular weight of 4923.21 g/mol. Its IUPAC name is 2-[4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;2-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperidin-3-yl]acetonitrile;6-bromo-5-tert-butyl-4-methylpyridin-2-amine;7-bromo-2,4,6-trichloroquinazoline;tert-butyl 4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-bromo-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-2,6-dichloroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;2-fluoroprop-2-enoic acid;iodophosphane;[(2S)-1-methylpyrrolidin-2-yl]methanol;2-piperidin-3-ylacetonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrofluoride.

Molecular Properties

• Compound Name: 2-[4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;2-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperidin-3-yl]acetonitrile;6-bromo-5-tert-butyl-4-methylpyridin-2-amine;7-bromo-2,4,6-trichloroquinazoline;tert-butyl 4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-bromo-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-2,6-dichloroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;2-fluoroprop-2-enoic acid;iodophosphane;[(2S)-1-methylpyrrolidin-2-yl]methanol;2-piperidin-3-ylacetonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrofluoride
• PubChem CID: 160726564
• Molecular Formula: C211H268B3Br4Cl10F12IN47O23P
• Molecular Weight: 4923.21 g/mol
• Exact Mass: 4912.37
• IUPAC Name: 2-[4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;2-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperidin-3-yl]acetonitrile;6-bromo-5-tert-butyl-4-methylpyridin-2-amine;7-bromo-2,4,6-trichloroquinazoline;tert-butyl 4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-bromo-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-2,6-dichloroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;2-fluoroprop-2-enoic acid;iodophosphane;[(2S)-1-methylpyrrolidin-2-yl]methanol;2-piperidin-3-ylacetonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrofluoride
• SMILES: C=C(F)C(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3cc(-c4nc(N)cc(C)c4C(F)(F)F)c(Cl)cc23)CC1CC#N.C=C(F)C(=O)O.CC(C)(C)OC(=O)N1CCN(c2nc(Cl)nc3cc(Br)c(Cl)cc23)CC1CC#N.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CN1CCC[C@H]1CO.CN1CCC[C@H]1COc1nc(N2CCN(C(=O)OC(C)(C)C)C(CC#N)C2)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)cc2n1.CN1CCC[C@H]1COc1nc(N2CCN(C(=O)OC(C)(C)C)C(CC#N)C2)c2cc(Cl)c(Br)cc2n1.Cc1cc(N)nc(-c2cc3nc(OC[C@@H]4CCCN4C)nc(N4CCCC(CC#N)C4)c3cc2Cl)c1C(F)(F)F.Cc1cc(N)nc(-c2cc3nc(OC[C@@H]4CCCN4C)nc(N4CCN(C(=O)OC(C)(C)C)C(CC#N)C4)c3cc2Cl)c1C(F)(F)F.Cc1cc(N)nc(Br)c1C(C)(C)C.Clc1nc(Cl)c2cc(Cl)c(Br)cc2n1.F.N#CCC1CCCNC1.PI
• InChI: InChI=1S/C32H38ClF3N8O3.C31H44BClN6O5.C30H31ClF4N8O2.C28H31ClF3N7O.C25H32BrClN6O3.C19H20BrCl2N5O2.C12H24B2O4.C10H15BrN2.C8H2BrCl3N2.C7H12N2.C6H13NO.C3H3FO2.FH.H2IP/c1-18-13-25(38)40-27(26(18)32(34,35)36)21-15-24-22(14-23(21)33)28(41-29(39-24)46-17-20-7-6-10-42(20)5)43-11-12-44(19(16-43)8-9-37)30(45)47-31(2,3)4;1-29(2,3)42-28(40)39-15-14-38(18-20(39)11-12-34)26-22-16-24(33)23(32-43-30(4,5)31(6,7)44-32)17-25(22)35-27(36-26)41-19-21-10-9-13-37(21)8;1-16-11-24(37)39-26(25(16)30(33,34)35)20-13-23-21(12-22(20)31)27(40-29(38-23)45-15-19-5-4-8-41(19)3)42-9-10-43(28(44)17(2)32)18(14-42)6-7-36;1-16-11-23(34)36-25(24(16)28(30,31)32)19-13-22-20(12-21(19)29)26(39-10-3-5-17(14-39)7-8-33)37-27(35-22)40-15-18-6-4-9-38(18)2;1-25(2,3)36-24(34)33-11-10-32(14-16(33)7-8-28)22-18-12-20(27)19(26)13-21(18)29-23(30-22)35-15-17-6-5-9-31(17)4;1-19(2,3)29-18(28)27-7-6-26(10-11(27)4-5-23)16-12-8-14(21)13(20)9-15(12)24-17(22)25-16;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-6-5-7(12)13-9(11)8(6)10(2,3)4;9-4-2-6-3(1-5(4)10)7(11)14-8(12)13-6;8-4-3-7-2-1-5-9-6-7;1-7-4-2-3-6(7)5-8;1-2(4)3(5)6;;1-2/h13-15,19-20H,6-8,10-12,16-17H2,1-5H3,(H2,38,40);16-17,20-21H,9-11,13-15,18-19H2,1-8H3;11-13,18-19H,2,4-6,8-10,14-15H2,1,3H3,(H2,37,39);11-13,17-18H,3-7,9-10,14-15H2,1-2H3,(H2,34,36);12-13,16-17H,5-7,9-11,14-15H2,1-4H3;8-9,11H,4,6-7,10H2,1-3H3;1-8H3;5H,1-4H3,(H2,12,13);1-2H;7,9H,1-3,5-6H2;6,8H,2-5H2,1H3;1H2,(H,5,6);1H;2H2/t19?,20-;20?,21-;18?,19-;17?,18-;16?,17-;;;;;;6-;;;/m00000.....0.../s1
• InChIKey: RTUFMCSQADUDGW-KIZOGSOYSA-N
• XLogP: 43.88
• TPSA: 851.07 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 64
• Rotatable Bonds: 36
• Heavy Atoms: 312
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4923.21
LogP ≤ 5	43.88
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	64

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;2-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperidin-3-yl]acetonitrile;6-bromo-5-tert-butyl-4-methylpyridin-2-amine;7-bromo-2,4,6-trichloroquinazoline;tert-butyl 4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-bromo-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-2,6-dichloroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;2-fluoroprop-2-enoic acid;iodophosphane;[(2S)-1-methylpyrrolidin-2-yl]methanol;2-piperidin-3-ylacetonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrofluoride?

The IUPAC name of 2-[4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;2-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperidin-3-yl]acetonitrile;6-bromo-5-tert-butyl-4-methylpyridin-2-amine;7-bromo-2,4,6-trichloroquinazoline;tert-butyl 4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-bromo-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-2,6-dichloroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;2-fluoroprop-2-enoic acid;iodophosphane;[(2S)-1-methylpyrrolidin-2-yl]methanol;2-piperidin-3-ylacetonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrofluoride (CID 160726564) is 2-[4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;2-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperidin-3-yl]acetonitrile;6-bromo-5-tert-butyl-4-methylpyridin-2-amine;7-bromo-2,4,6-trichloroquinazoline;tert-butyl 4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-bromo-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-2,6-dichloroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;2-fluoroprop-2-enoic acid;iodophosphane;[(2S)-1-methylpyrrolidin-2-yl]methanol;2-piperidin-3-ylacetonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrofluoride.

What is the SMILES notation for 2-[4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;2-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperidin-3-yl]acetonitrile;6-bromo-5-tert-butyl-4-methylpyridin-2-amine;7-bromo-2,4,6-trichloroquinazoline;tert-butyl 4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-bromo-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-2,6-dichloroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;2-fluoroprop-2-enoic acid;iodophosphane;[(2S)-1-methylpyrrolidin-2-yl]methanol;2-piperidin-3-ylacetonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrofluoride?

The canonical SMILES for 2-[4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;2-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperidin-3-yl]acetonitrile;6-bromo-5-tert-butyl-4-methylpyridin-2-amine;7-bromo-2,4,6-trichloroquinazoline;tert-butyl 4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-bromo-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-2,6-dichloroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;2-fluoroprop-2-enoic acid;iodophosphane;[(2S)-1-methylpyrrolidin-2-yl]methanol;2-piperidin-3-ylacetonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrofluoride is C=C(F)C(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3cc(-c4nc(N)cc(C)c4C(F)(F)F)c(Cl)cc23)CC1CC#N.C=C(F)C(=O)O.CC(C)(C)OC(=O)N1CCN(c2nc(Cl)nc3cc(Br)c(Cl)cc23)CC1CC#N.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CN1CCC[C@H]1CO.CN1CCC[C@H]1COc1nc(N2CCN(C(=O)OC(C)(C)C)C(CC#N)C2)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)cc2n1.CN1CCC[C@H]1COc1nc(N2CCN(C(=O)OC(C)(C)C)C(CC#N)C2)c2cc(Cl)c(Br)cc2n1.Cc1cc(N)nc(-c2cc3nc(OC[C@@H]4CCCN4C)nc(N4CCCC(CC#N)C4)c3cc2Cl)c1C(F)(F)F.Cc1cc(N)nc(-c2cc3nc(OC[C@@H]4CCCN4C)nc(N4CCN(C(=O)OC(C)(C)C)C(CC#N)C4)c3cc2Cl)c1C(F)(F)F.Cc1cc(N)nc(Br)c1C(C)(C)C.Clc1nc(Cl)c2cc(Cl)c(Br)cc2n1.F.N#CCC1CCCNC1.PI.

What is the InChIKey of 2-[4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;2-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperidin-3-yl]acetonitrile;6-bromo-5-tert-butyl-4-methylpyridin-2-amine;7-bromo-2,4,6-trichloroquinazoline;tert-butyl 4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-bromo-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-2,6-dichloroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;2-fluoroprop-2-enoic acid;iodophosphane;[(2S)-1-methylpyrrolidin-2-yl]methanol;2-piperidin-3-ylacetonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrofluoride?

The InChIKey is RTUFMCSQADUDGW-KIZOGSOYSA-N. The full InChI is InChI=1S/C32H38ClF3N8O3.C31H44BClN6O5.C30H31ClF4N8O2.C28H31ClF3N7O.C25H32BrClN6O3.C19H20BrCl2N5O2.C12H24B2O4.C10H15BrN2.C8H2BrCl3N2.C7H12N2.C6H13NO.C3H3FO2.FH.H2IP/c1-18-13-25(38)40-27(26(18)32(34,35)36)21-15-24-22(14-23(21)33)28(41-29(39-24)46-17-20-7-6-10-42(20)5)43-11-12-44(19(16-43)8-9-37)30(45)47-31(2,3)4;1-29(2,3)42-28(40)39-15-14-38(18-20(39)11-12-34)26-22-16-24(33)23(32-43-30(4,5)31(6,7)44-32)17-25(22)35-27(36-26)41-19-21-10-9-13-37(21)8;1-16-11-24(37)39-26(25(16)30(33,34)35)20-13-23-21(12-22(20)31)27(40-29(38-23)45-15-19-5-4-8-41(19)3)42-9-10-43(28(44)17(2)32)18(14-42)6-7-36;1-16-11-23(34)36-25(24(16)28(30,31)32)19-13-22-20(12-21(19)29)26(39-10-3-5-17(14-39)7-8-33)37-27(35-22)40-15-18-6-4-9-38(18)2;1-25(2,3)36-24(34)33-11-10-32(14-16(33)7-8-28)22-18-12-20(27)19(26)13-21(18)29-23(30-22)35-15-17-6-5-9-31(17)4;1-19(2,3)29-18(28)27-7-6-26(10-11(27)4-5-23)16-12-8-14(21)13(20)9-15(12)24-17(22)25-16;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-6-5-7(12)13-9(11)8(6)10(2,3)4;9-4-2-6-3(1-5(4)10)7(11)14-8(12)13-6;8-4-3-7-2-1-5-9-6-7;1-7-4-2-3-6(7)5-8;1-2(4)3(5)6;;1-2/h13-15,19-20H,6-8,10-12,16-17H2,1-5H3,(H2,38,40);16-17,20-21H,9-11,13-15,18-19H2,1-8H3;11-13,18-19H,2,4-6,8-10,14-15H2,1,3H3,(H2,37,39);11-13,17-18H,3-7,9-10,14-15H2,1-2H3,(H2,34,36);12-13,16-17H,5-7,9-11,14-15H2,1-4H3;8-9,11H,4,6-7,10H2,1-3H3;1-8H3;5H,1-4H3,(H2,12,13);1-2H;7,9H,1-3,5-6H2;6,8H,2-5H2,1H3;1H2,(H,5,6);1H;2H2/t19?,20-;20?,21-;18?,19-;17?,18-;16?,17-;;;;;;6-;;;/m00000.....0.../s1.

What are the key properties of 2-[4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;2-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperidin-3-yl]acetonitrile;6-bromo-5-tert-butyl-4-methylpyridin-2-amine;7-bromo-2,4,6-trichloroquinazoline;tert-butyl 4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-bromo-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-2,6-dichloroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;2-fluoroprop-2-enoic acid;iodophosphane;[(2S)-1-methylpyrrolidin-2-yl]methanol;2-piperidin-3-ylacetonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrofluoride?

2-[4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;2-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperidin-3-yl]acetonitrile;6-bromo-5-tert-butyl-4-methylpyridin-2-amine;7-bromo-2,4,6-trichloroquinazoline;tert-butyl 4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-bromo-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-2,6-dichloroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;2-fluoroprop-2-enoic acid;iodophosphane;[(2S)-1-methylpyrrolidin-2-yl]methanol;2-piperidin-3-ylacetonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrofluoride has a molecular weight of 4923.21 g/mol, XLogP of 43.88, 36 rotatable bonds, 7 hydrogen bond donors, and 64 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile;2-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperidin-3-yl]acetonitrile;6-bromo-5-tert-butyl-4-methylpyridin-2-amine;7-bromo-2,4,6-trichloroquinazoline;tert-butyl 4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-bromo-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-2,6-dichloroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;2-fluoroprop-2-enoic acid;iodophosphane;[(2S)-1-methylpyrrolidin-2-yl]methanol;2-piperidin-3-ylacetonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrofluoride is sourced from PubChem (CID 160726564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).