4-(3-azabicyclo[3.2.1]octan-3-yl)-6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazoline;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl 3-[7-bromo-6-chloro-8-cyclopropyloxy-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[7-bromo-6-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate;1-[3-[6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;cyclopropanol;(5-methyl-1H-indazol-4-yl)boronic acid;[(2S)-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl prop-2-enoate

C216H263BBr4Cl10F3N41O27 — CID 167653483

IUPAC4-(3-azabicyclo[3.2.1]octan-3-yl)-6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazoline;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl 3-[7-bromo-6-chloro-8-cyclopropyloxy-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[7-bromo-6-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate;1-[3-[6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;cyclopropanol;(5-methyl-1H-indazol-4-yl)boronic acid;[(2S)-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl prop-2-enoate
SMILESC=CC(=O)N1C2CCC1CN(c1nc(OC[C@@H]3CCCN3C)nc3c(OC4CC4)c(-c4c(C)ccc5[nH]ncc45)c(Cl)cc13)C2.C=CC(=O)OC(=O)C=C.CC(C)(C)OC(=O)N1C2CCC1CN(c1nc(Cl)nc3c(F)c(Br)c(Cl)cc13)C2.CC(C)(C)OC(=O)N1C2CCC1CNC2.CN1CCC[C@H]1CO.CN1CCC[C@H]1COc1nc(N2CC3CCC(C2)N3C(=O)OC(C)(C)C)c2cc(Cl)c(Br)c(F)c2n1.CN1CCC[C@H]1COc1nc(N2CC3CCC(C2)N3C(=O)OC(C)(C)C)c2cc(Cl)c(Br)c(OC3CC3)c2n1.Cc1ccc2[nH]ncc2c1-c1c(Cl)cc2c(N3CC4CCC(C3)N4C(=O)OC(C)(C)C)nc(OC[C@@H]3CCCN3C)nc2c1OC1CC1.Cc1ccc2[nH]ncc2c1-c1c(Cl)cc2c(N3CC4CCC(C4)C3)nc(OC[C@@H]3CCCN3C)nc2c1OC1CC1.Cc1ccc2[nH]ncc2c1B(O)O.Fc1c(Br)c(Cl)cc2c(Cl)nc(Cl)nc12.OC1CC1
InChIInChI=1S/C36H44ClN7O4.C34H38ClN7O3.C32H37ClN6O2.C28H37BrClN5O4.C25H32BrClFN5O3.C19H20BrCl2FN4O2.C11H20N2O2.C8H9BN2O2.C8HBrCl3FN2.C6H13NO.C6H6O3.C3H6O/c1-20-8-13-28-26(16-38-41-28)29(20)30-27(37)15-25-31(32(30)47-24-11-12-24)39-34(46-19-23-7-6-14-42(23)5)40-33(25)43-17-21-9-10-22(18-43)44(21)35(45)48-36(2,3)4;1-4-28(43)42-20-8-9-21(42)17-41(16-20)33-24-14-26(35)30(29-19(2)7-12-27-25(29)15-36-39-27)32(45-23-10-11-23)31(24)37-34(38-33)44-18-22-6-5-13-40(22)3;1-18-5-10-26-24(14-34-37-26)27(18)28-25(33)13-23-29(30(28)41-22-8-9-22)35-32(40-17-21-4-3-11-38(21)2)36-31(23)39-15-19-6-7-20(12-19)16-39;1-28(2,3)39-27(36)35-16-7-8-17(35)14-34(13-16)25-20-12-21(30)22(29)24(38-19-9-10-19)23(20)31-26(32-25)37-15-18-6-5-11-33(18)4;1-25(2,3)36-24(34)33-14-7-8-15(33)12-32(11-14)22-17-10-18(27)19(26)20(28)21(17)29-23(30-22)35-13-16-6-5-9-31(16)4;1-19(2,3)29-18(28)27-9-4-5-10(27)8-26(7-9)16-11-6-12(21)13(20)14(23)15(11)24-17(22)25-16;1-11(2,3)15-10(14)13-8-4-5-9(13)7-12-6-8;1-5-2-3-7-6(4-10-11-7)8(5)9(12)13;9-4-3(10)1-2-6(5(4)13)14-8(12)15-7(2)11;1-7-4-2-3-6(7)5-8;1-3-5(7)9-6(8)4-2;4-3-1-2-3/h8,13,15-16,21-24H,6-7,9-12,14,17-19H2,1-5H3,(H,38,41);4,7,12,14-15,20-23H,1,5-6,8-11,13,16-18H2,2-3H3,(H,36,39);5,10,13-14,19-22H,3-4,6-9,11-12,15-17H2,1-2H3,(H,34,37);12,16-19H,5-11,13-15H2,1-4H3;10,14-16H,5-9,11-13H2,1-4H3;6,9-10H,4-5,7-8H2,1-3H3;8-9,12H,4-7H2,1-3H3;2-4,12-13H,1H3,(H,10,11);1H;6,8H,2-5H2,1H3;3-4H,1-2H2;3-4H,1-2H2/t21?,22?,23-;20?,21?,22-;19?,20?,21-;16?,17?,18-;14?,15?,16-;;;;;6-;;/m00000....0../s1
InChIKeyQXMWKNSPRNHJTG-XTYIDRIPSA-N
MW4607.69 g/mol
LogP41.00
Rot. Bonds37

About 4-(3-azabicyclo[3.2.1]octan-3-yl)-6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazoline;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl 3-[7-bromo-6-chloro-8-cyclopropyloxy-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[7-bromo-6-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate;1-[3-[6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;cyclopropanol;(5-methyl-1H-indazol-4-yl)boronic acid;[(2S)-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl prop-2-enoate

4-(3-azabicyclo[3.2.1]octan-3-yl)-6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazoline;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl 3-[7-bromo-6-chloro-8-cyclopropyloxy-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[7-bromo-6-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate;1-[3-[6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;cyclopropanol;(5-methyl-1H-indazol-4-yl)boronic acid;[(2S)-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl prop-2-enoate (PubChem CID 167653483) has the molecular formula C216H263BBr4Cl10F3N41O27 and a molecular weight of 4607.69 g/mol. Its IUPAC name is 4-(3-azabicyclo[3.2.1]octan-3-yl)-6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazoline;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl 3-[7-bromo-6-chloro-8-cyclopropyloxy-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[7-bromo-6-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate;1-[3-[6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;cyclopropanol;(5-methyl-1H-indazol-4-yl)boronic acid;[(2S)-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl prop-2-enoate.

Molecular Properties

Compound Name4-(3-azabicyclo[3.2.1]octan-3-yl)-6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazoline;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl 3-[7-bromo-6-chloro-8-cyclopropyloxy-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[7-bromo-6-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate;1-[3-[6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;cyclopropanol;(5-methyl-1H-indazol-4-yl)boronic acid;[(2S)-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl prop-2-enoate
PubChem CID167653483
Molecular FormulaC216H263BBr4Cl10F3N41O27
Molecular Weight4607.69 g/mol
Exact Mass4596.41
IUPAC Name4-(3-azabicyclo[3.2.1]octan-3-yl)-6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazoline;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl 3-[7-bromo-6-chloro-8-cyclopropyloxy-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[7-bromo-6-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate;1-[3-[6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;cyclopropanol;(5-methyl-1H-indazol-4-yl)boronic acid;[(2S)-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl prop-2-enoate
SMILESC=CC(=O)N1C2CCC1CN(c1nc(OC[C@@H]3CCCN3C)nc3c(OC4CC4)c(-c4c(C)ccc5[nH]ncc45)c(Cl)cc13)C2.C=CC(=O)OC(=O)C=C.CC(C)(C)OC(=O)N1C2CCC1CN(c1nc(Cl)nc3c(F)c(Br)c(Cl)cc13)C2.CC(C)(C)OC(=O)N1C2CCC1CNC2.CN1CCC[C@H]1CO.CN1CCC[C@H]1COc1nc(N2CC3CCC(C2)N3C(=O)OC(C)(C)C)c2cc(Cl)c(Br)c(F)c2n1.CN1CCC[C@H]1COc1nc(N2CC3CCC(C2)N3C(=O)OC(C)(C)C)c2cc(Cl)c(Br)c(OC3CC3)c2n1.Cc1ccc2[nH]ncc2c1-c1c(Cl)cc2c(N3CC4CCC(C3)N4C(=O)OC(C)(C)C)nc(OC[C@@H]3CCCN3C)nc2c1OC1CC1.Cc1ccc2[nH]ncc2c1-c1c(Cl)cc2c(N3CC4CCC(C4)C3)nc(OC[C@@H]3CCCN3C)nc2c1OC1CC1.Cc1ccc2[nH]ncc2c1B(O)O.Fc1c(Br)c(Cl)cc2c(Cl)nc(Cl)nc12.OC1CC1
InChIInChI=1S/C36H44ClN7O4.C34H38ClN7O3.C32H37ClN6O2.C28H37BrClN5O4.C25H32BrClFN5O3.C19H20BrCl2FN4O2.C11H20N2O2.C8H9BN2O2.C8HBrCl3FN2.C6H13NO.C6H6O3.C3H6O/c1-20-8-13-28-26(16-38-41-28)29(20)30-27(37)15-25-31(32(30)47-24-11-12-24)39-34(46-19-23-7-6-14-42(23)5)40-33(25)43-17-21-9-10-22(18-43)44(21)35(45)48-36(2,3)4;1-4-28(43)42-20-8-9-21(42)17-41(16-20)33-24-14-26(35)30(29-19(2)7-12-27-25(29)15-36-39-27)32(45-23-10-11-23)31(24)37-34(38-33)44-18-22-6-5-13-40(22)3;1-18-5-10-26-24(14-34-37-26)27(18)28-25(33)13-23-29(30(28)41-22-8-9-22)35-32(40-17-21-4-3-11-38(21)2)36-31(23)39-15-19-6-7-20(12-19)16-39;1-28(2,3)39-27(36)35-16-7-8-17(35)14-34(13-16)25-20-12-21(30)22(29)24(38-19-9-10-19)23(20)31-26(32-25)37-15-18-6-5-11-33(18)4;1-25(2,3)36-24(34)33-14-7-8-15(33)12-32(11-14)22-17-10-18(27)19(26)20(28)21(17)29-23(30-22)35-13-16-6-5-9-31(16)4;1-19(2,3)29-18(28)27-9-4-5-10(27)8-26(7-9)16-11-6-12(21)13(20)14(23)15(11)24-17(22)25-16;1-11(2,3)15-10(14)13-8-4-5-9(13)7-12-6-8;1-5-2-3-7-6(4-10-11-7)8(5)9(12)13;9-4-3(10)1-2-6(5(4)13)14-8(12)15-7(2)11;1-7-4-2-3-6(7)5-8;1-3-5(7)9-6(8)4-2;4-3-1-2-3/h8,13,15-16,21-24H,6-7,9-12,14,17-19H2,1-5H3,(H,38,41);4,7,12,14-15,20-23H,1,5-6,8-11,13,16-18H2,2-3H3,(H,36,39);5,10,13-14,19-22H,3-4,6-9,11-12,15-17H2,1-2H3,(H,34,37);12,16-19H,5-11,13-15H2,1-4H3;10,14-16H,5-9,11-13H2,1-4H3;6,9-10H,4-5,7-8H2,1-3H3;8-9,12H,4-7H2,1-3H3;2-4,12-13H,1H3,(H,10,11);1H;6,8H,2-5H2,1H3;3-4H,1-2H2;3-4H,1-2H2/t21?,22?,23-;20?,21?,22-;19?,20?,21-;16?,17?,18-;14?,15?,16-;;;;;6-;;/m00000....0../s1
InChIKeyQXMWKNSPRNHJTG-XTYIDRIPSA-N
XLogP41.00
TPSA721.46 Ų
H-Bond Donors9
H-Bond Acceptors58
Rotatable Bonds37
Heavy Atoms302
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004607.69
LogP ≤ 541.00
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1058

Analyze 4-(3-azabicyclo[3.2.1]octan-3-yl)-6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazoline;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl 3-[7-bromo-6-chloro-8-cyclopropyloxy-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[7-bromo-6-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate;1-[3-[6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;cyclopropanol;(5-methyl-1H-indazol-4-yl)boronic acid;[(2S)-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl prop-2-enoate with MolForge

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What is the IUPAC name of 4-(3-azabicyclo[3.2.1]octan-3-yl)-6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazoline;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl 3-[7-bromo-6-chloro-8-cyclopropyloxy-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[7-bromo-6-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate;1-[3-[6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;cyclopropanol;(5-methyl-1H-indazol-4-yl)boronic acid;[(2S)-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl prop-2-enoate?
The IUPAC name of 4-(3-azabicyclo[3.2.1]octan-3-yl)-6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazoline;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl 3-[7-bromo-6-chloro-8-cyclopropyloxy-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[7-bromo-6-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate;1-[3-[6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;cyclopropanol;(5-methyl-1H-indazol-4-yl)boronic acid;[(2S)-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl prop-2-enoate (CID 167653483) is 4-(3-azabicyclo[3.2.1]octan-3-yl)-6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazoline;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl 3-[7-bromo-6-chloro-8-cyclopropyloxy-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[7-bromo-6-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate;1-[3-[6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;cyclopropanol;(5-methyl-1H-indazol-4-yl)boronic acid;[(2S)-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl prop-2-enoate.
What is the SMILES notation for 4-(3-azabicyclo[3.2.1]octan-3-yl)-6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazoline;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl 3-[7-bromo-6-chloro-8-cyclopropyloxy-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[7-bromo-6-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate;1-[3-[6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;cyclopropanol;(5-methyl-1H-indazol-4-yl)boronic acid;[(2S)-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl prop-2-enoate?
The canonical SMILES for 4-(3-azabicyclo[3.2.1]octan-3-yl)-6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazoline;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl 3-[7-bromo-6-chloro-8-cyclopropyloxy-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[7-bromo-6-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate;1-[3-[6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;cyclopropanol;(5-methyl-1H-indazol-4-yl)boronic acid;[(2S)-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl prop-2-enoate is C=CC(=O)N1C2CCC1CN(c1nc(OC[C@@H]3CCCN3C)nc3c(OC4CC4)c(-c4c(C)ccc5[nH]ncc45)c(Cl)cc13)C2.C=CC(=O)OC(=O)C=C.CC(C)(C)OC(=O)N1C2CCC1CN(c1nc(Cl)nc3c(F)c(Br)c(Cl)cc13)C2.CC(C)(C)OC(=O)N1C2CCC1CNC2.CN1CCC[C@H]1CO.CN1CCC[C@H]1COc1nc(N2CC3CCC(C2)N3C(=O)OC(C)(C)C)c2cc(Cl)c(Br)c(F)c2n1.CN1CCC[C@H]1COc1nc(N2CC3CCC(C2)N3C(=O)OC(C)(C)C)c2cc(Cl)c(Br)c(OC3CC3)c2n1.Cc1ccc2[nH]ncc2c1-c1c(Cl)cc2c(N3CC4CCC(C3)N4C(=O)OC(C)(C)C)nc(OC[C@@H]3CCCN3C)nc2c1OC1CC1.Cc1ccc2[nH]ncc2c1-c1c(Cl)cc2c(N3CC4CCC(C4)C3)nc(OC[C@@H]3CCCN3C)nc2c1OC1CC1.Cc1ccc2[nH]ncc2c1B(O)O.Fc1c(Br)c(Cl)cc2c(Cl)nc(Cl)nc12.OC1CC1.
What is the InChIKey of 4-(3-azabicyclo[3.2.1]octan-3-yl)-6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazoline;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl 3-[7-bromo-6-chloro-8-cyclopropyloxy-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[7-bromo-6-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate;1-[3-[6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;cyclopropanol;(5-methyl-1H-indazol-4-yl)boronic acid;[(2S)-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl prop-2-enoate?
The InChIKey is QXMWKNSPRNHJTG-XTYIDRIPSA-N. The full InChI is InChI=1S/C36H44ClN7O4.C34H38ClN7O3.C32H37ClN6O2.C28H37BrClN5O4.C25H32BrClFN5O3.C19H20BrCl2FN4O2.C11H20N2O2.C8H9BN2O2.C8HBrCl3FN2.C6H13NO.C6H6O3.C3H6O/c1-20-8-13-28-26(16-38-41-28)29(20)30-27(37)15-25-31(32(30)47-24-11-12-24)39-34(46-19-23-7-6-14-42(23)5)40-33(25)43-17-21-9-10-22(18-43)44(21)35(45)48-36(2,3)4;1-4-28(43)42-20-8-9-21(42)17-41(16-20)33-24-14-26(35)30(29-19(2)7-12-27-25(29)15-36-39-27)32(45-23-10-11-23)31(24)37-34(38-33)44-18-22-6-5-13-40(22)3;1-18-5-10-26-24(14-34-37-26)27(18)28-25(33)13-23-29(30(28)41-22-8-9-22)35-32(40-17-21-4-3-11-38(21)2)36-31(23)39-15-19-6-7-20(12-19)16-39;1-28(2,3)39-27(36)35-16-7-8-17(35)14-34(13-16)25-20-12-21(30)22(29)24(38-19-9-10-19)23(20)31-26(32-25)37-15-18-6-5-11-33(18)4;1-25(2,3)36-24(34)33-14-7-8-15(33)12-32(11-14)22-17-10-18(27)19(26)20(28)21(17)29-23(30-22)35-13-16-6-5-9-31(16)4;1-19(2,3)29-18(28)27-9-4-5-10(27)8-26(7-9)16-11-6-12(21)13(20)14(23)15(11)24-17(22)25-16;1-11(2,3)15-10(14)13-8-4-5-9(13)7-12-6-8;1-5-2-3-7-6(4-10-11-7)8(5)9(12)13;9-4-3(10)1-2-6(5(4)13)14-8(12)15-7(2)11;1-7-4-2-3-6(7)5-8;1-3-5(7)9-6(8)4-2;4-3-1-2-3/h8,13,15-16,21-24H,6-7,9-12,14,17-19H2,1-5H3,(H,38,41);4,7,12,14-15,20-23H,1,5-6,8-11,13,16-18H2,2-3H3,(H,36,39);5,10,13-14,19-22H,3-4,6-9,11-12,15-17H2,1-2H3,(H,34,37);12,16-19H,5-11,13-15H2,1-4H3;10,14-16H,5-9,11-13H2,1-4H3;6,9-10H,4-5,7-8H2,1-3H3;8-9,12H,4-7H2,1-3H3;2-4,12-13H,1H3,(H,10,11);1H;6,8H,2-5H2,1H3;3-4H,1-2H2;3-4H,1-2H2/t21?,22?,23-;20?,21?,22-;19?,20?,21-;16?,17?,18-;14?,15?,16-;;;;;6-;;/m00000....0../s1.
What are the key properties of 4-(3-azabicyclo[3.2.1]octan-3-yl)-6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazoline;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl 3-[7-bromo-6-chloro-8-cyclopropyloxy-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[7-bromo-6-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate;1-[3-[6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;cyclopropanol;(5-methyl-1H-indazol-4-yl)boronic acid;[(2S)-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl prop-2-enoate?
4-(3-azabicyclo[3.2.1]octan-3-yl)-6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazoline;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl 3-[7-bromo-6-chloro-8-cyclopropyloxy-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[7-bromo-6-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate;1-[3-[6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;cyclopropanol;(5-methyl-1H-indazol-4-yl)boronic acid;[(2S)-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl prop-2-enoate has a molecular weight of 4607.69 g/mol, XLogP of 41.00, 37 rotatable bonds, 9 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azabicyclo[3.2.1]octan-3-yl)-6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazoline;7-bromo-2,4,6-trichloro-8-fluoroquinazoline;tert-butyl 3-[7-bromo-6-chloro-8-cyclopropyloxy-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[7-bromo-6-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate;1-[3-[6-chloro-8-cyclopropyloxy-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one;cyclopropanol;(5-methyl-1H-indazol-4-yl)boronic acid;[(2S)-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl prop-2-enoate is sourced from PubChem (CID 167653483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).