1-[(3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine;tert-butyl (3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[7-bromo-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-(7-bromo-2,6-dichloroquinazolin-4-yl)-3-methylpiperazine-1-carboxylate;[6-chloro-4-[(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-7-yl]boronic acid;[(2S)-1-methylpyrrolidin-2-yl]methanol;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

C154H207B3Br3Cl7F9N31O21 — CID 159200905

About 1-[(3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine;tert-butyl (3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[7-bromo-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-(7-bromo-2,6-dichloroquinazolin-4-yl)-3-methylpiperazine-1-carboxylate;[6-chloro-4-[(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-7-yl]boronic acid;[(2S)-1-methylpyrrolidin-2-yl]methanol;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)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine;tert-butyl (3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[7-bromo-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-(7-bromo-2,6-dichloroquinazolin-4-yl)-3-methylpiperazine-1-carboxylate;[6-chloro-4-[(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-7-yl]boronic acid;[(2S)-1-methylpyrrolidin-2-yl]methanol;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 159200905) has the molecular formula C154H207B3Br3Cl7F9N31O21 and a molecular weight of 3519.85 g/mol. Its IUPAC name is 1-[(3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine;tert-butyl (3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[7-bromo-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-(7-bromo-2,6-dichloroquinazolin-4-yl)-3-methylpiperazine-1-carboxylate;[6-chloro-4-[(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-7-yl]boronic acid;[(2S)-1-methylpyrrolidin-2-yl]methanol;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 Name: 1-[(3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine;tert-butyl (3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[7-bromo-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-(7-bromo-2,6-dichloroquinazolin-4-yl)-3-methylpiperazine-1-carboxylate;[6-chloro-4-[(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-7-yl]boronic acid;[(2S)-1-methylpyrrolidin-2-yl]methanol;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: 159200905
• Molecular Formula: C154H207B3Br3Cl7F9N31O21
• Molecular Weight: 3519.85 g/mol
• Exact Mass: 3512.16
• IUPAC Name: 1-[(3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine;tert-butyl (3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[7-bromo-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-(7-bromo-2,6-dichloroquinazolin-4-yl)-3-methylpiperazine-1-carboxylate;[6-chloro-4-[(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-7-yl]boronic acid;[(2S)-1-methylpyrrolidin-2-yl]methanol;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
• SMILES: C=CC(=O)Cl.C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3cc(-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.CN1CCC[C@H]1CO.C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1nc(Cl)nc2cc(Br)c(Cl)cc12.C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1nc(OC[C@@H]2CCCN2C)nc2cc(B(O)O)c(Cl)cc12.C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1nc(OC[C@@H]2CCCN2C)nc2cc(Br)c(Cl)cc12.Cc1cc(N)nc(-c2cc3nc(OC[C@@H]4CCCN4C)nc(N4CCN(C(=O)OC(C)(C)C)C[C@@H]4C)c3cc2Cl)c1C(F)(F)F.Cc1cc(N)nc(Br)c1C(F)(F)F
• InChI: InChI=1S/C31H39ClF3N7O3.C29H33ClF3N7O2.C24H35BClN5O5.C24H33BrClN5O3.C18H21BrCl2N4O2.C12H24B2O4.C7H6BrF3N2.C6H13NO.C3H3ClO/c1-17-12-24(36)38-26(25(17)31(33,34)35)20-14-23-21(13-22(20)32)27(39-28(37-23)44-16-19-8-7-9-40(19)6)42-11-10-41(15-18(42)2)29(43)45-30(3,4)5;1-5-24(41)39-9-10-40(17(3)14-39)27-20-12-21(30)19(26-25(29(31,32)33)16(2)11-23(34)36-26)13-22(20)35-28(37-27)42-15-18-7-6-8-38(18)4;1-15-13-30(23(32)36-24(2,3)4)9-10-31(15)21-17-11-19(26)18(25(33)34)12-20(17)27-22(28-21)35-14-16-7-6-8-29(16)5;1-15-13-30(23(32)34-24(2,3)4)9-10-31(15)21-17-11-19(26)18(25)12-20(17)27-22(28-21)33-14-16-7-6-8-29(16)5;1-10-9-24(17(26)27-18(2,3)4)5-6-25(10)15-11-7-13(20)12(19)8-14(11)22-16(21)23-15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-3-2-4(12)13-6(8)5(3)7(9,10)11;1-7-4-2-3-6(7)5-8;1-2-3(4)5/h12-14,18-19H,7-11,15-16H2,1-6H3,(H2,36,38);5,11-13,17-18H,1,6-10,14-15H2,2-4H3,(H2,34,36);11-12,15-16,33-34H,6-10,13-14H2,1-5H3;11-12,15-16H,6-10,13-14H2,1-5H3;7-8,10H,5-6,9H2,1-4H3;1-8H3;2H,1H3,(H2,12,13);6,8H,2-5H2,1H3;2H,1H2/t18-,19-;17-,18-;2*15-,16-;10-;;;6-;/m00000..0./s1
• InChIKey: KPGUZNRBZYRIQZ-DICHQHDPSA-N
• XLogP: 29.13
• TPSA: 568.10 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 47
• Rotatable Bonds: 24
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3519.85
LogP ≤ 5	29.13
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	47

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'}

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine;tert-butyl (3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[7-bromo-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-(7-bromo-2,6-dichloroquinazolin-4-yl)-3-methylpiperazine-1-carboxylate;[6-chloro-4-[(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-7-yl]boronic acid;[(2S)-1-methylpyrrolidin-2-yl]methanol;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)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine;tert-butyl (3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[7-bromo-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-(7-bromo-2,6-dichloroquinazolin-4-yl)-3-methylpiperazine-1-carboxylate;[6-chloro-4-[(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-7-yl]boronic acid;[(2S)-1-methylpyrrolidin-2-yl]methanol;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 159200905) is 1-[(3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine;tert-butyl (3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[7-bromo-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-(7-bromo-2,6-dichloroquinazolin-4-yl)-3-methylpiperazine-1-carboxylate;[6-chloro-4-[(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-7-yl]boronic acid;[(2S)-1-methylpyrrolidin-2-yl]methanol;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)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine;tert-butyl (3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[7-bromo-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-(7-bromo-2,6-dichloroquinazolin-4-yl)-3-methylpiperazine-1-carboxylate;[6-chloro-4-[(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-7-yl]boronic acid;[(2S)-1-methylpyrrolidin-2-yl]methanol;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)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine;tert-butyl (3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[7-bromo-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-(7-bromo-2,6-dichloroquinazolin-4-yl)-3-methylpiperazine-1-carboxylate;[6-chloro-4-[(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-7-yl]boronic acid;[(2S)-1-methylpyrrolidin-2-yl]methanol;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)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3cc(-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.CN1CCC[C@H]1CO.C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1nc(Cl)nc2cc(Br)c(Cl)cc12.C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1nc(OC[C@@H]2CCCN2C)nc2cc(B(O)O)c(Cl)cc12.C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1nc(OC[C@@H]2CCCN2C)nc2cc(Br)c(Cl)cc12.Cc1cc(N)nc(-c2cc3nc(OC[C@@H]4CCCN4C)nc(N4CCN(C(=O)OC(C)(C)C)C[C@@H]4C)c3cc2Cl)c1C(F)(F)F.Cc1cc(N)nc(Br)c1C(F)(F)F.

What is the InChIKey of 1-[(3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine;tert-butyl (3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[7-bromo-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-(7-bromo-2,6-dichloroquinazolin-4-yl)-3-methylpiperazine-1-carboxylate;[6-chloro-4-[(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-7-yl]boronic acid;[(2S)-1-methylpyrrolidin-2-yl]methanol;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 KPGUZNRBZYRIQZ-DICHQHDPSA-N. The full InChI is InChI=1S/C31H39ClF3N7O3.C29H33ClF3N7O2.C24H35BClN5O5.C24H33BrClN5O3.C18H21BrCl2N4O2.C12H24B2O4.C7H6BrF3N2.C6H13NO.C3H3ClO/c1-17-12-24(36)38-26(25(17)31(33,34)35)20-14-23-21(13-22(20)32)27(39-28(37-23)44-16-19-8-7-9-40(19)6)42-11-10-41(15-18(42)2)29(43)45-30(3,4)5;1-5-24(41)39-9-10-40(17(3)14-39)27-20-12-21(30)19(26-25(29(31,32)33)16(2)11-23(34)36-26)13-22(20)35-28(37-27)42-15-18-7-6-8-38(18)4;1-15-13-30(23(32)36-24(2,3)4)9-10-31(15)21-17-11-19(26)18(25(33)34)12-20(17)27-22(28-21)35-14-16-7-6-8-29(16)5;1-15-13-30(23(32)34-24(2,3)4)9-10-31(15)21-17-11-19(26)18(25)12-20(17)27-22(28-21)33-14-16-7-6-8-29(16)5;1-10-9-24(17(26)27-18(2,3)4)5-6-25(10)15-11-7-13(20)12(19)8-14(11)22-16(21)23-15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-3-2-4(12)13-6(8)5(3)7(9,10)11;1-7-4-2-3-6(7)5-8;1-2-3(4)5/h12-14,18-19H,7-11,15-16H2,1-6H3,(H2,36,38);5,11-13,17-18H,1,6-10,14-15H2,2-4H3,(H2,34,36);11-12,15-16,33-34H,6-10,13-14H2,1-5H3;11-12,15-16H,6-10,13-14H2,1-5H3;7-8,10H,5-6,9H2,1-4H3;1-8H3;2H,1H3,(H2,12,13);6,8H,2-5H2,1H3;2H,1H2/t18-,19-;17-,18-;2*15-,16-;10-;;;6-;/m00000..0./s1.

What are the key properties of 1-[(3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine;tert-butyl (3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[7-bromo-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-(7-bromo-2,6-dichloroquinazolin-4-yl)-3-methylpiperazine-1-carboxylate;[6-chloro-4-[(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-7-yl]boronic acid;[(2S)-1-methylpyrrolidin-2-yl]methanol;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)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine;tert-butyl (3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[7-bromo-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-(7-bromo-2,6-dichloroquinazolin-4-yl)-3-methylpiperazine-1-carboxylate;[6-chloro-4-[(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-7-yl]boronic acid;[(2S)-1-methylpyrrolidin-2-yl]methanol;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 3519.85 g/mol, XLogP of 29.13, 24 rotatable bonds, 6 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one;6-bromo-4-methyl-5-(trifluoromethyl)pyridin-2-amine;tert-butyl (3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[7-bromo-6-chloro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-(7-bromo-2,6-dichloroquinazolin-4-yl)-3-methylpiperazine-1-carboxylate;[6-chloro-4-[(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-7-yl]boronic acid;[(2S)-1-methylpyrrolidin-2-yl]methanol;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 159200905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).