potassium;[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-2-pyridinyl]boronic acid;7-bromo-2,6-dichloro-8-fluoro-3H-quinazolin-4-one;tert-butyl 4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-3-iodo-4-methyl-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-6-chloro-2,8-difluoroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;methyl 2,2-difluoro-2-fluorosulfonylacetate;molecular iodine;2-piperidin-3-ylacetonitrile;fluoride

C160H163BBr3Cl7F12I3KN30O21S — CID 161030886

IUPACpotassium;[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-2-pyridinyl]boronic acid;7-bromo-2,6-dichloro-8-fluoro-3H-quinazolin-4-one;tert-butyl 4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-3-iodo-4-methyl-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-6-chloro-2,8-difluoroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;methyl 2,2-difluoro-2-fluorosulfonylacetate;molecular iodine;2-piperidin-3-ylacetonitrile;fluoride
SMILESCC(C)(C)OC(=O)N1CCN(c2nc(Cl)nc3c(F)c(Br)c(Cl)cc23)CC1CC#N.CC(C)(C)OC(=O)N1CCN(c2nc(F)nc3c(F)c(Br)c(Cl)cc23)CC1CC#N.COC(=O)C(F)(F)S(=O)(=O)F.COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(C)c(I)c(-c3c(Cl)cc4c(N5CCN(C(=O)OC(C)(C)C)C(CC#N)C5)nc(F)nc4c3F)n2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(C)cc(-c3c(Cl)cc4c(N5CCN(C(=O)OC(C)(C)C)C(CC#N)C5)nc(F)nc4c3F)n2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(C)cc(B(O)O)n2)cc1.II.N#CCC1CCCNC1.O=c1[nH]c(Cl)nc2c(F)c(Br)c(Cl)cc12.[F-].[K+]
InChIInChI=1S/C41H41ClF2IN7O4.C41H42ClF2N7O4.C22H25BN2O4.C19H19BrCl2FN5O2.C19H19BrClF2N5O2.C8H2BrCl2FN2O.C7H12N2.C3H3F3O4S.FH.I2.K/c1-24-19-32(51(21-25-7-11-28(54-5)12-8-25)22-26-9-13-29(55-6)14-10-26)47-37(35(24)45)33-31(42)20-30-36(34(33)43)48-39(44)49-38(30)50-17-18-52(27(23-50)15-16-46)40(53)56-41(2,3)4;1-25-19-33(46-34(20-25)50(22-26-7-11-29(53-5)12-8-26)23-27-9-13-30(54-6)14-10-27)35-32(42)21-31-37(36(35)43)47-39(44)48-38(31)49-17-18-51(28(24-49)15-16-45)40(52)55-41(2,3)4;1-16-12-21(23(26)27)24-22(13-16)25(14-17-4-8-19(28-2)9-5-17)15-18-6-10-20(29-3)11-7-18;1-19(2,3)30-18(29)28-7-6-27(9-10(28)4-5-24)16-11-8-12(21)13(20)14(23)15(11)25-17(22)26-16;1-19(2,3)30-18(29)28-7-6-27(9-10(28)4-5-24)16-11-8-12(21)13(20)14(22)15(11)25-17(23)26-16;9-4-3(10)1-2-6(5(4)12)13-8(11)14-7(2)15;8-4-3-7-2-1-5-9-6-7;1-10-2(7)3(4,5)11(6,8)9;;1-2;/h7-14,19-20,27H,15,17-18,21-23H2,1-6H3;7-14,19-21,28H,15,17-18,22-24H2,1-6H3;4-13,26-27H,14-15H2,1-3H3;2*8,10H,4,6-7,9H2,1-3H3;1H,(H,13,14,15);7,9H,1-3,5-6H2;1H3;1H;;/q;;;;;;;;;;+1/p-1
InChIKeyTZPHWAOIUILWIH-UHFFFAOYSA-M
MW4020.80 g/mol
LogP29.59
Rot. Bonds35

About potassium;[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-2-pyridinyl]boronic acid;7-bromo-2,6-dichloro-8-fluoro-3H-quinazolin-4-one;tert-butyl 4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-3-iodo-4-methyl-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-6-chloro-2,8-difluoroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;methyl 2,2-difluoro-2-fluorosulfonylacetate;molecular iodine;2-piperidin-3-ylacetonitrile;fluoride

potassium;[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-2-pyridinyl]boronic acid;7-bromo-2,6-dichloro-8-fluoro-3H-quinazolin-4-one;tert-butyl 4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-3-iodo-4-methyl-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-6-chloro-2,8-difluoroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;methyl 2,2-difluoro-2-fluorosulfonylacetate;molecular iodine;2-piperidin-3-ylacetonitrile;fluoride (PubChem CID 161030886) has the molecular formula C160H163BBr3Cl7F12I3KN30O21S and a molecular weight of 4020.80 g/mol. Its IUPAC name is potassium;[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-2-pyridinyl]boronic acid;7-bromo-2,6-dichloro-8-fluoro-3H-quinazolin-4-one;tert-butyl 4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-3-iodo-4-methyl-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-6-chloro-2,8-difluoroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;methyl 2,2-difluoro-2-fluorosulfonylacetate;molecular iodine;2-piperidin-3-ylacetonitrile;fluoride.

Molecular Properties

Compound Namepotassium;[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-2-pyridinyl]boronic acid;7-bromo-2,6-dichloro-8-fluoro-3H-quinazolin-4-one;tert-butyl 4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-3-iodo-4-methyl-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-6-chloro-2,8-difluoroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;methyl 2,2-difluoro-2-fluorosulfonylacetate;molecular iodine;2-piperidin-3-ylacetonitrile;fluoride
PubChem CID161030886
Molecular FormulaC160H163BBr3Cl7F12I3KN30O21S
Molecular Weight4020.80 g/mol
Exact Mass4012.44
IUPAC Namepotassium;[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-2-pyridinyl]boronic acid;7-bromo-2,6-dichloro-8-fluoro-3H-quinazolin-4-one;tert-butyl 4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-3-iodo-4-methyl-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-6-chloro-2,8-difluoroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;methyl 2,2-difluoro-2-fluorosulfonylacetate;molecular iodine;2-piperidin-3-ylacetonitrile;fluoride
SMILESCC(C)(C)OC(=O)N1CCN(c2nc(Cl)nc3c(F)c(Br)c(Cl)cc23)CC1CC#N.CC(C)(C)OC(=O)N1CCN(c2nc(F)nc3c(F)c(Br)c(Cl)cc23)CC1CC#N.COC(=O)C(F)(F)S(=O)(=O)F.COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(C)c(I)c(-c3c(Cl)cc4c(N5CCN(C(=O)OC(C)(C)C)C(CC#N)C5)nc(F)nc4c3F)n2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(C)cc(-c3c(Cl)cc4c(N5CCN(C(=O)OC(C)(C)C)C(CC#N)C5)nc(F)nc4c3F)n2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(C)cc(B(O)O)n2)cc1.II.N#CCC1CCCNC1.O=c1[nH]c(Cl)nc2c(F)c(Br)c(Cl)cc12.[F-].[K+]
InChIInChI=1S/C41H41ClF2IN7O4.C41H42ClF2N7O4.C22H25BN2O4.C19H19BrCl2FN5O2.C19H19BrClF2N5O2.C8H2BrCl2FN2O.C7H12N2.C3H3F3O4S.FH.I2.K/c1-24-19-32(51(21-25-7-11-28(54-5)12-8-25)22-26-9-13-29(55-6)14-10-26)47-37(35(24)45)33-31(42)20-30-36(34(33)43)48-39(44)49-38(30)50-17-18-52(27(23-50)15-16-46)40(53)56-41(2,3)4;1-25-19-33(46-34(20-25)50(22-26-7-11-29(53-5)12-8-26)23-27-9-13-30(54-6)14-10-27)35-32(42)21-31-37(36(35)43)47-39(44)48-38(31)49-17-18-51(28(24-49)15-16-45)40(52)55-41(2,3)4;1-16-12-21(23(26)27)24-22(13-16)25(14-17-4-8-19(28-2)9-5-17)15-18-6-10-20(29-3)11-7-18;1-19(2,3)30-18(29)28-7-6-27(9-10(28)4-5-24)16-11-8-12(21)13(20)14(23)15(11)25-17(22)26-16;1-19(2,3)30-18(29)28-7-6-27(9-10(28)4-5-24)16-11-8-12(21)13(20)14(22)15(11)25-17(23)26-16;9-4-3(10)1-2-6(5(4)12)13-8(11)14-7(2)15;8-4-3-7-2-1-5-9-6-7;1-10-2(7)3(4,5)11(6,8)9;;1-2;/h7-14,19-20,27H,15,17-18,21-23H2,1-6H3;7-14,19-21,28H,15,17-18,22-24H2,1-6H3;4-13,26-27H,14-15H2,1-3H3;2*8,10H,4,6-7,9H2,1-3H3;1H,(H,13,14,15);7,9H,1-3,5-6H2;1H3;1H;;/q;;;;;;;;;;+1/p-1
InChIKeyTZPHWAOIUILWIH-UHFFFAOYSA-M
XLogP29.59
TPSA615.64 Ų
H-Bond Donors4
H-Bond Acceptors46
Rotatable Bonds35
Heavy Atoms239
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004020.80
LogP ≤ 529.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze potassium;[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-2-pyridinyl]boronic acid;7-bromo-2,6-dichloro-8-fluoro-3H-quinazolin-4-one;tert-butyl 4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-3-iodo-4-methyl-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-6-chloro-2,8-difluoroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;methyl 2,2-difluoro-2-fluorosulfonylacetate;molecular iodine;2-piperidin-3-ylacetonitrile;fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of potassium;[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-2-pyridinyl]boronic acid;7-bromo-2,6-dichloro-8-fluoro-3H-quinazolin-4-one;tert-butyl 4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-3-iodo-4-methyl-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-6-chloro-2,8-difluoroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;methyl 2,2-difluoro-2-fluorosulfonylacetate;molecular iodine;2-piperidin-3-ylacetonitrile;fluoride?
The IUPAC name of potassium;[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-2-pyridinyl]boronic acid;7-bromo-2,6-dichloro-8-fluoro-3H-quinazolin-4-one;tert-butyl 4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-3-iodo-4-methyl-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-6-chloro-2,8-difluoroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;methyl 2,2-difluoro-2-fluorosulfonylacetate;molecular iodine;2-piperidin-3-ylacetonitrile;fluoride (CID 161030886) is potassium;[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-2-pyridinyl]boronic acid;7-bromo-2,6-dichloro-8-fluoro-3H-quinazolin-4-one;tert-butyl 4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-3-iodo-4-methyl-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-6-chloro-2,8-difluoroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;methyl 2,2-difluoro-2-fluorosulfonylacetate;molecular iodine;2-piperidin-3-ylacetonitrile;fluoride.
What is the SMILES notation for potassium;[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-2-pyridinyl]boronic acid;7-bromo-2,6-dichloro-8-fluoro-3H-quinazolin-4-one;tert-butyl 4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-3-iodo-4-methyl-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-6-chloro-2,8-difluoroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;methyl 2,2-difluoro-2-fluorosulfonylacetate;molecular iodine;2-piperidin-3-ylacetonitrile;fluoride?
The canonical SMILES for potassium;[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-2-pyridinyl]boronic acid;7-bromo-2,6-dichloro-8-fluoro-3H-quinazolin-4-one;tert-butyl 4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-3-iodo-4-methyl-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-6-chloro-2,8-difluoroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;methyl 2,2-difluoro-2-fluorosulfonylacetate;molecular iodine;2-piperidin-3-ylacetonitrile;fluoride is CC(C)(C)OC(=O)N1CCN(c2nc(Cl)nc3c(F)c(Br)c(Cl)cc23)CC1CC#N.CC(C)(C)OC(=O)N1CCN(c2nc(F)nc3c(F)c(Br)c(Cl)cc23)CC1CC#N.COC(=O)C(F)(F)S(=O)(=O)F.COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(C)c(I)c(-c3c(Cl)cc4c(N5CCN(C(=O)OC(C)(C)C)C(CC#N)C5)nc(F)nc4c3F)n2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(C)cc(-c3c(Cl)cc4c(N5CCN(C(=O)OC(C)(C)C)C(CC#N)C5)nc(F)nc4c3F)n2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(C)cc(B(O)O)n2)cc1.II.N#CCC1CCCNC1.O=c1[nH]c(Cl)nc2c(F)c(Br)c(Cl)cc12.[F-].[K+].
What is the InChIKey of potassium;[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-2-pyridinyl]boronic acid;7-bromo-2,6-dichloro-8-fluoro-3H-quinazolin-4-one;tert-butyl 4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-3-iodo-4-methyl-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-6-chloro-2,8-difluoroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;methyl 2,2-difluoro-2-fluorosulfonylacetate;molecular iodine;2-piperidin-3-ylacetonitrile;fluoride?
The InChIKey is TZPHWAOIUILWIH-UHFFFAOYSA-M. The full InChI is InChI=1S/C41H41ClF2IN7O4.C41H42ClF2N7O4.C22H25BN2O4.C19H19BrCl2FN5O2.C19H19BrClF2N5O2.C8H2BrCl2FN2O.C7H12N2.C3H3F3O4S.FH.I2.K/c1-24-19-32(51(21-25-7-11-28(54-5)12-8-25)22-26-9-13-29(55-6)14-10-26)47-37(35(24)45)33-31(42)20-30-36(34(33)43)48-39(44)49-38(30)50-17-18-52(27(23-50)15-16-46)40(53)56-41(2,3)4;1-25-19-33(46-34(20-25)50(22-26-7-11-29(53-5)12-8-26)23-27-9-13-30(54-6)14-10-27)35-32(42)21-31-37(36(35)43)47-39(44)48-38(31)49-17-18-51(28(24-49)15-16-45)40(52)55-41(2,3)4;1-16-12-21(23(26)27)24-22(13-16)25(14-17-4-8-19(28-2)9-5-17)15-18-6-10-20(29-3)11-7-18;1-19(2,3)30-18(29)28-7-6-27(9-10(28)4-5-24)16-11-8-12(21)13(20)14(23)15(11)25-17(22)26-16;1-19(2,3)30-18(29)28-7-6-27(9-10(28)4-5-24)16-11-8-12(21)13(20)14(22)15(11)25-17(23)26-16;9-4-3(10)1-2-6(5(4)12)13-8(11)14-7(2)15;8-4-3-7-2-1-5-9-6-7;1-10-2(7)3(4,5)11(6,8)9;;1-2;/h7-14,19-20,27H,15,17-18,21-23H2,1-6H3;7-14,19-21,28H,15,17-18,22-24H2,1-6H3;4-13,26-27H,14-15H2,1-3H3;2*8,10H,4,6-7,9H2,1-3H3;1H,(H,13,14,15);7,9H,1-3,5-6H2;1H3;1H;;/q;;;;;;;;;;+1/p-1.
What are the key properties of potassium;[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-2-pyridinyl]boronic acid;7-bromo-2,6-dichloro-8-fluoro-3H-quinazolin-4-one;tert-butyl 4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-3-iodo-4-methyl-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-6-chloro-2,8-difluoroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;methyl 2,2-difluoro-2-fluorosulfonylacetate;molecular iodine;2-piperidin-3-ylacetonitrile;fluoride?
potassium;[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-2-pyridinyl]boronic acid;7-bromo-2,6-dichloro-8-fluoro-3H-quinazolin-4-one;tert-butyl 4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-3-iodo-4-methyl-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-6-chloro-2,8-difluoroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;methyl 2,2-difluoro-2-fluorosulfonylacetate;molecular iodine;2-piperidin-3-ylacetonitrile;fluoride has a molecular weight of 4020.80 g/mol, XLogP of 29.59, 35 rotatable bonds, 4 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-2-pyridinyl]boronic acid;7-bromo-2,6-dichloro-8-fluoro-3H-quinazolin-4-one;tert-butyl 4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-3-iodo-4-methyl-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-2-pyridinyl]-6-chloro-2,8-difluoroquinazolin-4-yl]-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-6-chloro-2,8-difluoroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;tert-butyl 4-(7-bromo-2,6-dichloro-8-fluoroquinazolin-4-yl)-2-(cyanomethyl)piperazine-1-carboxylate;methyl 2,2-difluoro-2-fluorosulfonylacetate;molecular iodine;2-piperidin-3-ylacetonitrile;fluoride is sourced from PubChem (CID 161030886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).