2-[1-[2-amino-5-[5-cyano-1-methyl-3-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]propan-2-yl]-4-fluorobenzoic acid;19-amino-13-fluoro-4,8,16-trimethyl-9-oxo-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;3-bromopyridin-2-amine;tert-butyl N-[(4-bromo-5-cyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate;1,1-diiodopropane;ethane;1-iodopropane;1-iodopropane;2-iodopropane;methane;methyl 2-[1-(2-amino-5-bromo-3-pyridinyl)propan-2-yl]-4-fluorobenzoate;methyl 2-[1-[2-amino-5-[5-cyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]propan-2-yl]-4-fluorobenzoate;methyl 2-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-fluorobenzoate;methyl 4-fluoro-2-prop-1-en-2-ylbenzoate;molecular iodine;propane;1,1,1-triiodopropane;triiodovanadium;vanadium;hydrochloride

C154H196Br3ClF6I13N28O15V2-2 — CID 159530201

About 2-[1-[2-amino-5-[5-cyano-1-methyl-3-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]propan-2-yl]-4-fluorobenzoic acid;19-amino-13-fluoro-4,8,16-trimethyl-9-oxo-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;3-bromopyridin-2-amine;tert-butyl N-[(4-bromo-5-cyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate;1,1-diiodopropane;ethane;1-iodopropane;1-iodopropane;2-iodopropane;methane;methyl 2-[1-(2-amino-5-bromo-3-pyridinyl)propan-2-yl]-4-fluorobenzoate;methyl 2-[1-[2-amino-5-[5-cyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]propan-2-yl]-4-fluorobenzoate;methyl 2-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-fluorobenzoate;methyl 4-fluoro-2-prop-1-en-2-ylbenzoate;molecular iodine;propane;1,1,1-triiodopropane;triiodovanadium;vanadium;hydrochloride

2-[1-[2-amino-5-[5-cyano-1-methyl-3-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]propan-2-yl]-4-fluorobenzoic acid;19-amino-13-fluoro-4,8,16-trimethyl-9-oxo-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;3-bromopyridin-2-amine;tert-butyl N-[(4-bromo-5-cyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate;1,1-diiodopropane;ethane;1-iodopropane;1-iodopropane;2-iodopropane;methane;methyl 2-[1-(2-amino-5-bromo-3-pyridinyl)propan-2-yl]-4-fluorobenzoate;methyl 2-[1-[2-amino-5-[5-cyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]propan-2-yl]-4-fluorobenzoate;methyl 2-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-fluorobenzoate;methyl 4-fluoro-2-prop-1-en-2-ylbenzoate;molecular iodine;propane;1,1,1-triiodopropane;triiodovanadium;vanadium;hydrochloride (PubChem CID 159530201) has the molecular formula C154H196Br3ClF6I13N28O15V2-2 and a molecular weight of 4820.24 g/mol. Its IUPAC name is 2-[1-[2-amino-5-[5-cyano-1-methyl-3-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]propan-2-yl]-4-fluorobenzoic acid;19-amino-13-fluoro-4,8,16-trimethyl-9-oxo-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;3-bromopyridin-2-amine;tert-butyl N-[(4-bromo-5-cyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate;1,1-diiodopropane;ethane;1-iodopropane;1-iodopropane;2-iodopropane;methane;methyl 2-[1-(2-amino-5-bromo-3-pyridinyl)propan-2-yl]-4-fluorobenzoate;methyl 2-[1-[2-amino-5-[5-cyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]propan-2-yl]-4-fluorobenzoate;methyl 2-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-fluorobenzoate;methyl 4-fluoro-2-prop-1-en-2-ylbenzoate;molecular iodine;propane;1,1,1-triiodopropane;triiodovanadium;vanadium;hydrochloride.

Molecular Properties

• Compound Name: 2-[1-[2-amino-5-[5-cyano-1-methyl-3-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]propan-2-yl]-4-fluorobenzoic acid;19-amino-13-fluoro-4,8,16-trimethyl-9-oxo-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;3-bromopyridin-2-amine;tert-butyl N-[(4-bromo-5-cyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate;1,1-diiodopropane;ethane;1-iodopropane;1-iodopropane;2-iodopropane;methane;methyl 2-[1-(2-amino-5-bromo-3-pyridinyl)propan-2-yl]-4-fluorobenzoate;methyl 2-[1-[2-amino-5-[5-cyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]propan-2-yl]-4-fluorobenzoate;methyl 2-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-fluorobenzoate;methyl 4-fluoro-2-prop-1-en-2-ylbenzoate;molecular iodine;propane;1,1,1-triiodopropane;triiodovanadium;vanadium;hydrochloride
• PubChem CID: 159530201
• Molecular Formula: C154H196Br3ClF6I13N28O15V2-2
• Molecular Weight: 4820.24 g/mol
• Exact Mass: 4814.90
• IUPAC Name: 2-[1-[2-amino-5-[5-cyano-1-methyl-3-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]propan-2-yl]-4-fluorobenzoic acid;19-amino-13-fluoro-4,8,16-trimethyl-9-oxo-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;3-bromopyridin-2-amine;tert-butyl N-[(4-bromo-5-cyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate;1,1-diiodopropane;ethane;1-iodopropane;1-iodopropane;2-iodopropane;methane;methyl 2-[1-(2-amino-5-bromo-3-pyridinyl)propan-2-yl]-4-fluorobenzoate;methyl 2-[1-[2-amino-5-[5-cyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]propan-2-yl]-4-fluorobenzoate;methyl 2-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-fluorobenzoate;methyl 4-fluoro-2-prop-1-en-2-ylbenzoate;molecular iodine;propane;1,1,1-triiodopropane;triiodovanadium;vanadium;hydrochloride
• SMILES: C.C.C=C(C)c1cc(F)ccc1C(=O)OC.CC(C)I.CC1Cc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21.CCC.CCC(I)(I)I.CCC(I)I.CCCI.CC[CH-]I.CN(Cc1nn(C)c(C#N)c1Br)C(=O)OC(C)(C)C.CNCc1nn(C)c(C#N)c1-c1cnc(N)c(CC(C)c2cc(F)ccc2C(=O)O)c1.COC(=O)c1ccc(F)cc1C(C)Cc1cc(-c2c(CN(C)C(=O)OC(C)(C)C)nn(C)c2C#N)cnc1N.COC(=O)c1ccc(F)cc1C(C)Cc1cc(Br)cnc1N.COC(=O)c1ccc(F)cc1C(C)Cc1cccnc1N.Cl.II.I[V](I)I.Nc1ncccc1Br.[CH2-]C.[V]
• InChI: InChI=1S/C28H33FN6O4.C22H23FN6O2.C22H21FN6O.C16H16BrFN2O2.C16H17FN2O2.C12H17BrN4O2.C11H11FO2.C5H5BrN2.C3H5I3.C3H6I2.2C3H7I.C3H6I.C3H8.C2H5.2CH4.ClH.I2.3HI.2V/c1-16(21-12-19(29)8-9-20(21)26(36)38-7)10-17-11-18(14-32-25(17)31)24-22(33-35(6)23(24)13-30)15-34(5)27(37)39-28(2,3)4;1-12(17-8-15(23)4-5-16(17)22(30)31)6-13-7-14(10-27-21(13)25)20-18(11-26-2)28-29(3)19(20)9-24;1-12-6-13-7-14(10-26-21(13)25)20-18(27-29(3)19(20)9-24)11-28(2)22(30)16-5-4-15(23)8-17(12)16;1-9(5-10-6-11(17)8-20-15(10)19)14-7-12(18)3-4-13(14)16(21)22-2;1-10(8-11-4-3-7-19-15(11)18)14-9-12(17)5-6-13(14)16(20)21-2;1-12(2,3)19-11(18)16(4)7-8-10(13)9(6-14)17(5)15-8;1-7(2)10-6-8(12)4-5-9(10)11(13)14-3;6-4-2-1-3-8-5(4)7;1-2-3(4,5)6;1-2-3(4)5;1-3(2)4;2*1-2-3-4;1-3-2;1-2;;;;1-2;;;;;/h8-9,11-12,14,16H,10,15H2,1-7H3,(H2,31,32);4-5,7-8,10,12,26H,6,11H2,1-3H3,(H2,25,27)(H,30,31);4-5,7-8,10,12H,6,11H2,1-3H3,(H2,25,26);3-4,6-9H,5H2,1-2H3,(H2,19,20);3-7,9-10H,8H2,1-2H3,(H2,18,19);7H2,1-5H3;4-6H,1H2,2-3H3;1-3H,(H2,7,8);2H2,1H3;3H,2H2,1H3;3H,1-2H3;2-3H2,1H3;3H,2H2,1H3;3H2,1-2H3;1H2,2H3;2*1H4;1H;;3*1H;;/q;;;;;;;;;;;;-1;;-1;;;;;;;;;+3/p-3
• InChIKey: NKUJAAWOHLMGPP-UHFFFAOYSA-K
• XLogP: 43.52
• TPSA: 633.82 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 39
• Rotatable Bonds: 30
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4820.24
LogP ≤ 5	43.52
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-amino-5-[5-cyano-1-methyl-3-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]propan-2-yl]-4-fluorobenzoic acid;19-amino-13-fluoro-4,8,16-trimethyl-9-oxo-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;3-bromopyridin-2-amine;tert-butyl N-[(4-bromo-5-cyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate;1,1-diiodopropane;ethane;1-iodopropane;1-iodopropane;2-iodopropane;methane;methyl 2-[1-(2-amino-5-bromo-3-pyridinyl)propan-2-yl]-4-fluorobenzoate;methyl 2-[1-[2-amino-5-[5-cyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]propan-2-yl]-4-fluorobenzoate;methyl 2-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-fluorobenzoate;methyl 4-fluoro-2-prop-1-en-2-ylbenzoate;molecular iodine;propane;1,1,1-triiodopropane;triiodovanadium;vanadium;hydrochloride?

The IUPAC name of 2-[1-[2-amino-5-[5-cyano-1-methyl-3-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]propan-2-yl]-4-fluorobenzoic acid;19-amino-13-fluoro-4,8,16-trimethyl-9-oxo-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;3-bromopyridin-2-amine;tert-butyl N-[(4-bromo-5-cyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate;1,1-diiodopropane;ethane;1-iodopropane;1-iodopropane;2-iodopropane;methane;methyl 2-[1-(2-amino-5-bromo-3-pyridinyl)propan-2-yl]-4-fluorobenzoate;methyl 2-[1-[2-amino-5-[5-cyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]propan-2-yl]-4-fluorobenzoate;methyl 2-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-fluorobenzoate;methyl 4-fluoro-2-prop-1-en-2-ylbenzoate;molecular iodine;propane;1,1,1-triiodopropane;triiodovanadium;vanadium;hydrochloride (CID 159530201) is 2-[1-[2-amino-5-[5-cyano-1-methyl-3-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]propan-2-yl]-4-fluorobenzoic acid;19-amino-13-fluoro-4,8,16-trimethyl-9-oxo-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;3-bromopyridin-2-amine;tert-butyl N-[(4-bromo-5-cyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate;1,1-diiodopropane;ethane;1-iodopropane;1-iodopropane;2-iodopropane;methane;methyl 2-[1-(2-amino-5-bromo-3-pyridinyl)propan-2-yl]-4-fluorobenzoate;methyl 2-[1-[2-amino-5-[5-cyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]propan-2-yl]-4-fluorobenzoate;methyl 2-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-fluorobenzoate;methyl 4-fluoro-2-prop-1-en-2-ylbenzoate;molecular iodine;propane;1,1,1-triiodopropane;triiodovanadium;vanadium;hydrochloride.

What is the SMILES notation for 2-[1-[2-amino-5-[5-cyano-1-methyl-3-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]propan-2-yl]-4-fluorobenzoic acid;19-amino-13-fluoro-4,8,16-trimethyl-9-oxo-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;3-bromopyridin-2-amine;tert-butyl N-[(4-bromo-5-cyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate;1,1-diiodopropane;ethane;1-iodopropane;1-iodopropane;2-iodopropane;methane;methyl 2-[1-(2-amino-5-bromo-3-pyridinyl)propan-2-yl]-4-fluorobenzoate;methyl 2-[1-[2-amino-5-[5-cyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]propan-2-yl]-4-fluorobenzoate;methyl 2-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-fluorobenzoate;methyl 4-fluoro-2-prop-1-en-2-ylbenzoate;molecular iodine;propane;1,1,1-triiodopropane;triiodovanadium;vanadium;hydrochloride?

The canonical SMILES for 2-[1-[2-amino-5-[5-cyano-1-methyl-3-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]propan-2-yl]-4-fluorobenzoic acid;19-amino-13-fluoro-4,8,16-trimethyl-9-oxo-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;3-bromopyridin-2-amine;tert-butyl N-[(4-bromo-5-cyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate;1,1-diiodopropane;ethane;1-iodopropane;1-iodopropane;2-iodopropane;methane;methyl 2-[1-(2-amino-5-bromo-3-pyridinyl)propan-2-yl]-4-fluorobenzoate;methyl 2-[1-[2-amino-5-[5-cyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]propan-2-yl]-4-fluorobenzoate;methyl 2-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-fluorobenzoate;methyl 4-fluoro-2-prop-1-en-2-ylbenzoate;molecular iodine;propane;1,1,1-triiodopropane;triiodovanadium;vanadium;hydrochloride is C.C.C=C(C)c1cc(F)ccc1C(=O)OC.CC(C)I.CC1Cc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21.CCC.CCC(I)(I)I.CCC(I)I.CCCI.CC[CH-]I.CN(Cc1nn(C)c(C#N)c1Br)C(=O)OC(C)(C)C.CNCc1nn(C)c(C#N)c1-c1cnc(N)c(CC(C)c2cc(F)ccc2C(=O)O)c1.COC(=O)c1ccc(F)cc1C(C)Cc1cc(-c2c(CN(C)C(=O)OC(C)(C)C)nn(C)c2C#N)cnc1N.COC(=O)c1ccc(F)cc1C(C)Cc1cc(Br)cnc1N.COC(=O)c1ccc(F)cc1C(C)Cc1cccnc1N.Cl.II.I[V](I)I.Nc1ncccc1Br.[CH2-]C.[V].

What is the InChIKey of 2-[1-[2-amino-5-[5-cyano-1-methyl-3-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]propan-2-yl]-4-fluorobenzoic acid;19-amino-13-fluoro-4,8,16-trimethyl-9-oxo-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;3-bromopyridin-2-amine;tert-butyl N-[(4-bromo-5-cyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate;1,1-diiodopropane;ethane;1-iodopropane;1-iodopropane;2-iodopropane;methane;methyl 2-[1-(2-amino-5-bromo-3-pyridinyl)propan-2-yl]-4-fluorobenzoate;methyl 2-[1-[2-amino-5-[5-cyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]propan-2-yl]-4-fluorobenzoate;methyl 2-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-fluorobenzoate;methyl 4-fluoro-2-prop-1-en-2-ylbenzoate;molecular iodine;propane;1,1,1-triiodopropane;triiodovanadium;vanadium;hydrochloride?

The InChIKey is NKUJAAWOHLMGPP-UHFFFAOYSA-K. The full InChI is InChI=1S/C28H33FN6O4.C22H23FN6O2.C22H21FN6O.C16H16BrFN2O2.C16H17FN2O2.C12H17BrN4O2.C11H11FO2.C5H5BrN2.C3H5I3.C3H6I2.2C3H7I.C3H6I.C3H8.C2H5.2CH4.ClH.I2.3HI.2V/c1-16(21-12-19(29)8-9-20(21)26(36)38-7)10-17-11-18(14-32-25(17)31)24-22(33-35(6)23(24)13-30)15-34(5)27(37)39-28(2,3)4;1-12(17-8-15(23)4-5-16(17)22(30)31)6-13-7-14(10-27-21(13)25)20-18(11-26-2)28-29(3)19(20)9-24;1-12-6-13-7-14(10-26-21(13)25)20-18(27-29(3)19(20)9-24)11-28(2)22(30)16-5-4-15(23)8-17(12)16;1-9(5-10-6-11(17)8-20-15(10)19)14-7-12(18)3-4-13(14)16(21)22-2;1-10(8-11-4-3-7-19-15(11)18)14-9-12(17)5-6-13(14)16(20)21-2;1-12(2,3)19-11(18)16(4)7-8-10(13)9(6-14)17(5)15-8;1-7(2)10-6-8(12)4-5-9(10)11(13)14-3;6-4-2-1-3-8-5(4)7;1-2-3(4,5)6;1-2-3(4)5;1-3(2)4;2*1-2-3-4;1-3-2;1-2;;;;1-2;;;;;/h8-9,11-12,14,16H,10,15H2,1-7H3,(H2,31,32);4-5,7-8,10,12,26H,6,11H2,1-3H3,(H2,25,27)(H,30,31);4-5,7-8,10,12H,6,11H2,1-3H3,(H2,25,26);3-4,6-9H,5H2,1-2H3,(H2,19,20);3-7,9-10H,8H2,1-2H3,(H2,18,19);7H2,1-5H3;4-6H,1H2,2-3H3;1-3H,(H2,7,8);2H2,1H3;3H,2H2,1H3;3H,1-2H3;2-3H2,1H3;3H,2H2,1H3;3H2,1-2H3;1H2,2H3;2*1H4;1H;;3*1H;;/q;;;;;;;;;;;;-1;;-1;;;;;;;;;+3/p-3.

What are the key properties of 2-[1-[2-amino-5-[5-cyano-1-methyl-3-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]propan-2-yl]-4-fluorobenzoic acid;19-amino-13-fluoro-4,8,16-trimethyl-9-oxo-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;3-bromopyridin-2-amine;tert-butyl N-[(4-bromo-5-cyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate;1,1-diiodopropane;ethane;1-iodopropane;1-iodopropane;2-iodopropane;methane;methyl 2-[1-(2-amino-5-bromo-3-pyridinyl)propan-2-yl]-4-fluorobenzoate;methyl 2-[1-[2-amino-5-[5-cyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]propan-2-yl]-4-fluorobenzoate;methyl 2-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-fluorobenzoate;methyl 4-fluoro-2-prop-1-en-2-ylbenzoate;molecular iodine;propane;1,1,1-triiodopropane;triiodovanadium;vanadium;hydrochloride?

2-[1-[2-amino-5-[5-cyano-1-methyl-3-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]propan-2-yl]-4-fluorobenzoic acid;19-amino-13-fluoro-4,8,16-trimethyl-9-oxo-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;3-bromopyridin-2-amine;tert-butyl N-[(4-bromo-5-cyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate;1,1-diiodopropane;ethane;1-iodopropane;1-iodopropane;2-iodopropane;methane;methyl 2-[1-(2-amino-5-bromo-3-pyridinyl)propan-2-yl]-4-fluorobenzoate;methyl 2-[1-[2-amino-5-[5-cyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]propan-2-yl]-4-fluorobenzoate;methyl 2-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-fluorobenzoate;methyl 4-fluoro-2-prop-1-en-2-ylbenzoate;molecular iodine;propane;1,1,1-triiodopropane;triiodovanadium;vanadium;hydrochloride has a molecular weight of 4820.24 g/mol, XLogP of 43.52, 30 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-amino-5-[5-cyano-1-methyl-3-(methylaminomethyl)pyrazol-4-yl]-3-pyridinyl]propan-2-yl]-4-fluorobenzoic acid;19-amino-13-fluoro-4,8,16-trimethyl-9-oxo-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;3-bromopyridin-2-amine;tert-butyl N-[(4-bromo-5-cyano-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate;1,1-diiodopropane;ethane;1-iodopropane;1-iodopropane;2-iodopropane;methane;methyl 2-[1-(2-amino-5-bromo-3-pyridinyl)propan-2-yl]-4-fluorobenzoate;methyl 2-[1-[2-amino-5-[5-cyano-1-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazol-4-yl]-3-pyridinyl]propan-2-yl]-4-fluorobenzoate;methyl 2-[1-(2-amino-3-pyridinyl)propan-2-yl]-4-fluorobenzoate;methyl 4-fluoro-2-prop-1-en-2-ylbenzoate;molecular iodine;propane;1,1,1-triiodopropane;triiodovanadium;vanadium;hydrochloride is sourced from PubChem (CID 159530201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).