1-[(2R,5S)-4-[7-(3-amino-5-methyl-1H-indazol-4-yl)-6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoroquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]propan-1-one;tert-butyl (2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;1-[(2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-3-nitro-2H-indazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]propan-1-one;1-[6-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-7-(5-methyl-3-nitro-2H-indazol-4-yl)quinazolin-2-yl]-N,N-dimethylazetidin-3-amine;dichlorotin;nitric acid;prop-2-enoyl chloride;sulfuric acid

C123H150Cl7F4N35O16SSn — CID 159451659

IUPAC1-[(2R,5S)-4-[7-(3-amino-5-methyl-1H-indazol-4-yl)-6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoroquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]propan-1-one;tert-butyl (2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;1-[(2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-3-nitro-2H-indazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]propan-1-one;1-[6-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-7-(5-methyl-3-nitro-2H-indazol-4-yl)quinazolin-2-yl]-N,N-dimethylazetidin-3-amine;dichlorotin;nitric acid;prop-2-enoyl chloride;sulfuric acid
SMILESC=CC(=O)Cl.CCC(=O)N1C[C@H](C)N(c2nc(N3CC(N(C)C)C3)nc3c(F)c(-c4c(C)ccc5[nH]nc(N)c45)c(Cl)cc23)C[C@H]1C.CCC(=O)N1C[C@H](C)N(c2nc(N3CC(N(C)C)C3)nc3c(F)c(-c4c(C)ccc5n[nH]c([N+](=O)[O-])c45)c(Cl)cc23)C[C@H]1C.Cc1ccc2[nH]ncc2c1-c1c(Cl)cc2c(N3C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]3C)nc(N3CC(N(C)C)C3)nc2c1F.Cc1ccc2n[nH]c([N+](=O)[O-])c2c1-c1c(Cl)cc2c(N3C[C@@H](C)CC[C@@H]3C)nc(N3CC(N(C)C)C3)nc2c1F.Cl[Sn]Cl.O=S(=O)(O)O.O=[N+]([O-])O
InChIInChI=1S/C32H40ClFN8O2.C30H35ClFN9O3.C30H37ClFN9O.C28H32ClFN8O2.C3H3ClO.2ClH.HNO3.H2O4S.Sn/c1-17-9-10-24-22(12-35-38-24)25(17)26-23(33)11-21-28(27(26)34)36-30(40-15-20(16-40)39(7)8)37-29(21)41-13-19(3)42(14-18(41)2)31(43)44-32(4,5)6;1-7-22(42)39-11-17(4)40(12-16(39)3)28-19-10-20(31)24(23-15(2)8-9-21-25(23)29(36-35-21)41(43)44)26(32)27(19)33-30(34-28)38-13-18(14-38)37(5)6;1-7-22(42)40-11-17(4)41(12-16(40)3)29-19-10-20(31)24(23-15(2)8-9-21-25(23)28(33)37-36-21)26(32)27(19)34-30(35-29)39-13-18(14-39)38(5)6;1-14-6-8-16(3)37(11-14)26-18-10-19(29)22(21-15(2)7-9-20-23(21)27(34-33-20)38(39)40)24(30)25(18)31-28(32-26)36-12-17(13-36)35(4)5;1-2-3(4)5;;;2-1(3)4;1-5(2,3)4;/h9-12,18-20H,13-16H2,1-8H3,(H,35,38);8-10,16-18H,7,11-14H2,1-6H3,(H,35,36);8-10,16-18H,7,11-14H2,1-6H3,(H3,33,36,37);7,9-10,14,16-17H,6,8,11-13H2,1-5H3,(H,33,34);2H,1H2;2*1H;(H,2,3,4);(H2,1,2,3,4);/q;;;;;;;;;+2/p-2/t18-,19+;2*16-,17+;14-,16-;;;;;;/m0110....../s1
InChIKeyNOTDQUJIDXXUAB-YXRVIIGASA-L
MW2849.72 g/mol
LogP21.56
Rot. Bonds21

About 1-[(2R,5S)-4-[7-(3-amino-5-methyl-1H-indazol-4-yl)-6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoroquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]propan-1-one;tert-butyl (2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;1-[(2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-3-nitro-2H-indazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]propan-1-one;1-[6-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-7-(5-methyl-3-nitro-2H-indazol-4-yl)quinazolin-2-yl]-N,N-dimethylazetidin-3-amine;dichlorotin;nitric acid;prop-2-enoyl chloride;sulfuric acid

1-[(2R,5S)-4-[7-(3-amino-5-methyl-1H-indazol-4-yl)-6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoroquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]propan-1-one;tert-butyl (2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;1-[(2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-3-nitro-2H-indazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]propan-1-one;1-[6-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-7-(5-methyl-3-nitro-2H-indazol-4-yl)quinazolin-2-yl]-N,N-dimethylazetidin-3-amine;dichlorotin;nitric acid;prop-2-enoyl chloride;sulfuric acid (PubChem CID 159451659) has the molecular formula C123H150Cl7F4N35O16SSn and a molecular weight of 2849.72 g/mol. Its IUPAC name is 1-[(2R,5S)-4-[7-(3-amino-5-methyl-1H-indazol-4-yl)-6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoroquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]propan-1-one;tert-butyl (2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;1-[(2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-3-nitro-2H-indazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]propan-1-one;1-[6-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-7-(5-methyl-3-nitro-2H-indazol-4-yl)quinazolin-2-yl]-N,N-dimethylazetidin-3-amine;dichlorotin;nitric acid;prop-2-enoyl chloride;sulfuric acid.

Molecular Properties

Compound Name1-[(2R,5S)-4-[7-(3-amino-5-methyl-1H-indazol-4-yl)-6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoroquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]propan-1-one;tert-butyl (2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;1-[(2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-3-nitro-2H-indazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]propan-1-one;1-[6-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-7-(5-methyl-3-nitro-2H-indazol-4-yl)quinazolin-2-yl]-N,N-dimethylazetidin-3-amine;dichlorotin;nitric acid;prop-2-enoyl chloride;sulfuric acid
PubChem CID159451659
Molecular FormulaC123H150Cl7F4N35O16SSn
Molecular Weight2849.72 g/mol
Exact Mass2845.85
IUPAC Name1-[(2R,5S)-4-[7-(3-amino-5-methyl-1H-indazol-4-yl)-6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoroquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]propan-1-one;tert-butyl (2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;1-[(2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-3-nitro-2H-indazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]propan-1-one;1-[6-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-7-(5-methyl-3-nitro-2H-indazol-4-yl)quinazolin-2-yl]-N,N-dimethylazetidin-3-amine;dichlorotin;nitric acid;prop-2-enoyl chloride;sulfuric acid
SMILESC=CC(=O)Cl.CCC(=O)N1C[C@H](C)N(c2nc(N3CC(N(C)C)C3)nc3c(F)c(-c4c(C)ccc5[nH]nc(N)c45)c(Cl)cc23)C[C@H]1C.CCC(=O)N1C[C@H](C)N(c2nc(N3CC(N(C)C)C3)nc3c(F)c(-c4c(C)ccc5n[nH]c([N+](=O)[O-])c45)c(Cl)cc23)C[C@H]1C.Cc1ccc2[nH]ncc2c1-c1c(Cl)cc2c(N3C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]3C)nc(N3CC(N(C)C)C3)nc2c1F.Cc1ccc2n[nH]c([N+](=O)[O-])c2c1-c1c(Cl)cc2c(N3C[C@@H](C)CC[C@@H]3C)nc(N3CC(N(C)C)C3)nc2c1F.Cl[Sn]Cl.O=S(=O)(O)O.O=[N+]([O-])O
InChIInChI=1S/C32H40ClFN8O2.C30H35ClFN9O3.C30H37ClFN9O.C28H32ClFN8O2.C3H3ClO.2ClH.HNO3.H2O4S.Sn/c1-17-9-10-24-22(12-35-38-24)25(17)26-23(33)11-21-28(27(26)34)36-30(40-15-20(16-40)39(7)8)37-29(21)41-13-19(3)42(14-18(41)2)31(43)44-32(4,5)6;1-7-22(42)39-11-17(4)40(12-16(39)3)28-19-10-20(31)24(23-15(2)8-9-21-25(23)29(36-35-21)41(43)44)26(32)27(19)33-30(34-28)38-13-18(14-38)37(5)6;1-7-22(42)40-11-17(4)41(12-16(40)3)29-19-10-20(31)24(23-15(2)8-9-21-25(23)28(33)37-36-21)26(32)27(19)34-30(35-29)39-13-18(14-39)38(5)6;1-14-6-8-16(3)37(11-14)26-18-10-19(29)22(21-15(2)7-9-20-23(21)27(34-33-20)38(39)40)24(30)25(18)31-28(32-26)36-12-17(13-36)35(4)5;1-2-3(4)5;;;2-1(3)4;1-5(2,3)4;/h9-12,18-20H,13-16H2,1-8H3,(H,35,38);8-10,16-18H,7,11-14H2,1-6H3,(H,35,36);8-10,16-18H,7,11-14H2,1-6H3,(H3,33,36,37);7,9-10,14,16-17H,6,8,11-13H2,1-5H3,(H,33,34);2H,1H2;2*1H;(H,2,3,4);(H2,1,2,3,4);/q;;;;;;;;;+2/p-2/t18-,19+;2*16-,17+;14-,16-;;;;;;/m0110....../s1
InChIKeyNOTDQUJIDXXUAB-YXRVIIGASA-L
XLogP21.56
TPSA594.22 Ų
H-Bond Donors8
H-Bond Acceptors38
Rotatable Bonds21
Heavy Atoms187
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002849.72
LogP ≤ 521.56
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 1-[(2R,5S)-4-[7-(3-amino-5-methyl-1H-indazol-4-yl)-6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoroquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]propan-1-one;tert-butyl (2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;1-[(2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-3-nitro-2H-indazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]propan-1-one;1-[6-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-7-(5-methyl-3-nitro-2H-indazol-4-yl)quinazolin-2-yl]-N,N-dimethylazetidin-3-amine;dichlorotin;nitric acid;prop-2-enoyl chloride;sulfuric acid with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5S)-4-[7-(3-amino-5-methyl-1H-indazol-4-yl)-6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoroquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]propan-1-one;tert-butyl (2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;1-[(2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-3-nitro-2H-indazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]propan-1-one;1-[6-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-7-(5-methyl-3-nitro-2H-indazol-4-yl)quinazolin-2-yl]-N,N-dimethylazetidin-3-amine;dichlorotin;nitric acid;prop-2-enoyl chloride;sulfuric acid?
The IUPAC name of 1-[(2R,5S)-4-[7-(3-amino-5-methyl-1H-indazol-4-yl)-6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoroquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]propan-1-one;tert-butyl (2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;1-[(2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-3-nitro-2H-indazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]propan-1-one;1-[6-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-7-(5-methyl-3-nitro-2H-indazol-4-yl)quinazolin-2-yl]-N,N-dimethylazetidin-3-amine;dichlorotin;nitric acid;prop-2-enoyl chloride;sulfuric acid (CID 159451659) is 1-[(2R,5S)-4-[7-(3-amino-5-methyl-1H-indazol-4-yl)-6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoroquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]propan-1-one;tert-butyl (2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;1-[(2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-3-nitro-2H-indazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]propan-1-one;1-[6-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-7-(5-methyl-3-nitro-2H-indazol-4-yl)quinazolin-2-yl]-N,N-dimethylazetidin-3-amine;dichlorotin;nitric acid;prop-2-enoyl chloride;sulfuric acid.
What is the SMILES notation for 1-[(2R,5S)-4-[7-(3-amino-5-methyl-1H-indazol-4-yl)-6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoroquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]propan-1-one;tert-butyl (2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;1-[(2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-3-nitro-2H-indazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]propan-1-one;1-[6-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-7-(5-methyl-3-nitro-2H-indazol-4-yl)quinazolin-2-yl]-N,N-dimethylazetidin-3-amine;dichlorotin;nitric acid;prop-2-enoyl chloride;sulfuric acid?
The canonical SMILES for 1-[(2R,5S)-4-[7-(3-amino-5-methyl-1H-indazol-4-yl)-6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoroquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]propan-1-one;tert-butyl (2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;1-[(2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-3-nitro-2H-indazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]propan-1-one;1-[6-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-7-(5-methyl-3-nitro-2H-indazol-4-yl)quinazolin-2-yl]-N,N-dimethylazetidin-3-amine;dichlorotin;nitric acid;prop-2-enoyl chloride;sulfuric acid is C=CC(=O)Cl.CCC(=O)N1C[C@H](C)N(c2nc(N3CC(N(C)C)C3)nc3c(F)c(-c4c(C)ccc5[nH]nc(N)c45)c(Cl)cc23)C[C@H]1C.CCC(=O)N1C[C@H](C)N(c2nc(N3CC(N(C)C)C3)nc3c(F)c(-c4c(C)ccc5n[nH]c([N+](=O)[O-])c45)c(Cl)cc23)C[C@H]1C.Cc1ccc2[nH]ncc2c1-c1c(Cl)cc2c(N3C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]3C)nc(N3CC(N(C)C)C3)nc2c1F.Cc1ccc2n[nH]c([N+](=O)[O-])c2c1-c1c(Cl)cc2c(N3C[C@@H](C)CC[C@@H]3C)nc(N3CC(N(C)C)C3)nc2c1F.Cl[Sn]Cl.O=S(=O)(O)O.O=[N+]([O-])O.
What is the InChIKey of 1-[(2R,5S)-4-[7-(3-amino-5-methyl-1H-indazol-4-yl)-6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoroquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]propan-1-one;tert-butyl (2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;1-[(2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-3-nitro-2H-indazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]propan-1-one;1-[6-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-7-(5-methyl-3-nitro-2H-indazol-4-yl)quinazolin-2-yl]-N,N-dimethylazetidin-3-amine;dichlorotin;nitric acid;prop-2-enoyl chloride;sulfuric acid?
The InChIKey is NOTDQUJIDXXUAB-YXRVIIGASA-L. The full InChI is InChI=1S/C32H40ClFN8O2.C30H35ClFN9O3.C30H37ClFN9O.C28H32ClFN8O2.C3H3ClO.2ClH.HNO3.H2O4S.Sn/c1-17-9-10-24-22(12-35-38-24)25(17)26-23(33)11-21-28(27(26)34)36-30(40-15-20(16-40)39(7)8)37-29(21)41-13-19(3)42(14-18(41)2)31(43)44-32(4,5)6;1-7-22(42)39-11-17(4)40(12-16(39)3)28-19-10-20(31)24(23-15(2)8-9-21-25(23)29(36-35-21)41(43)44)26(32)27(19)33-30(34-28)38-13-18(14-38)37(5)6;1-7-22(42)40-11-17(4)41(12-16(40)3)29-19-10-20(31)24(23-15(2)8-9-21-25(23)28(33)37-36-21)26(32)27(19)34-30(35-29)39-13-18(14-39)38(5)6;1-14-6-8-16(3)37(11-14)26-18-10-19(29)22(21-15(2)7-9-20-23(21)27(34-33-20)38(39)40)24(30)25(18)31-28(32-26)36-12-17(13-36)35(4)5;1-2-3(4)5;;;2-1(3)4;1-5(2,3)4;/h9-12,18-20H,13-16H2,1-8H3,(H,35,38);8-10,16-18H,7,11-14H2,1-6H3,(H,35,36);8-10,16-18H,7,11-14H2,1-6H3,(H3,33,36,37);7,9-10,14,16-17H,6,8,11-13H2,1-5H3,(H,33,34);2H,1H2;2*1H;(H,2,3,4);(H2,1,2,3,4);/q;;;;;;;;;+2/p-2/t18-,19+;2*16-,17+;14-,16-;;;;;;/m0110....../s1.
What are the key properties of 1-[(2R,5S)-4-[7-(3-amino-5-methyl-1H-indazol-4-yl)-6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoroquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]propan-1-one;tert-butyl (2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;1-[(2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-3-nitro-2H-indazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]propan-1-one;1-[6-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-7-(5-methyl-3-nitro-2H-indazol-4-yl)quinazolin-2-yl]-N,N-dimethylazetidin-3-amine;dichlorotin;nitric acid;prop-2-enoyl chloride;sulfuric acid?
1-[(2R,5S)-4-[7-(3-amino-5-methyl-1H-indazol-4-yl)-6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoroquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]propan-1-one;tert-butyl (2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;1-[(2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-3-nitro-2H-indazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]propan-1-one;1-[6-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-7-(5-methyl-3-nitro-2H-indazol-4-yl)quinazolin-2-yl]-N,N-dimethylazetidin-3-amine;dichlorotin;nitric acid;prop-2-enoyl chloride;sulfuric acid has a molecular weight of 2849.72 g/mol, XLogP of 21.56, 21 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5S)-4-[7-(3-amino-5-methyl-1H-indazol-4-yl)-6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoroquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]propan-1-one;tert-butyl (2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;1-[(2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-3-nitro-2H-indazol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]propan-1-one;1-[6-chloro-4-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-8-fluoro-7-(5-methyl-3-nitro-2H-indazol-4-yl)quinazolin-2-yl]-N,N-dimethylazetidin-3-amine;dichlorotin;nitric acid;prop-2-enoyl chloride;sulfuric acid is sourced from PubChem (CID 159451659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).