acetic acid;azane;tert-butyl N-ethyl-N-[[5-[3-[5-(ethylcarbamoyl)-4-phenyl-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;N-ethyl-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-4-phenyl-1H-imidazole-5-carboxamide;2-[5-[5-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-methyl-3-pyridinyl]-1-(oxan-2-yl)indazol-3-yl]-4-phenyl-1H-imidazole-5-carboxylic acid;3,3,3-trifluoro-1-phenylpropane-1,2-dione

C176H199F6N31O21 — CID 160941564

IUPACacetic acid;azane;tert-butyl N-ethyl-N-[[5-[3-[5-(ethylcarbamoyl)-4-phenyl-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;N-ethyl-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-4-phenyl-1H-imidazole-5-carboxamide;2-[5-[5-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-methyl-3-pyridinyl]-1-(oxan-2-yl)indazol-3-yl]-4-phenyl-1H-imidazole-5-carboxylic acid;3,3,3-trifluoro-1-phenylpropane-1,2-dione
SMILESCC(=O)O.CCN(Cc1cncc(-c2ccc3c(c2)c(-c2nc(-c4ccccc4)c(C(=O)O)[nH]2)nn3C2CCCCO2)c1C)C(=O)OC(C)(C)C.CCN(Cc1cncc(-c2ccc3c(c2)c(-c2nc(-c4ccccc4)c(C(F)(F)F)[nH]2)nn3C2CCCCO2)c1C)C(=O)OC(C)(C)C.CCN(Cc1cncc(-c2ccc3c(c2)c(C=O)nn3C2CCCCO2)c1C)C(=O)OC(C)(C)C.CCNC(=O)c1[nH]c(-c2nn(C3CCCCO3)c3ccc(-c4cncc(CN(CC)C(=O)OC(C)(C)C)c4C)cc23)nc1-c1ccccc1.CCNCc1cncc(-c2ccc3[nH]nc(-c4nc(-c5ccccc5)c(C(=O)NCC)[nH]4)c3c2)c1C.N.O=C(C(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C38H45N7O4.C36H39F3N6O3.C36H40N6O5.C28H29N7O.C27H34N4O4.C9H5F3O2.C2H4O2.H3N/c1-7-40-36(46)34-32(25-14-10-9-11-15-25)41-35(42-34)33-28-20-26(17-18-30(28)45(43-33)31-16-12-13-19-48-31)29-22-39-21-27(24(29)3)23-44(8-2)37(47)49-38(4,5)6;1-6-44(34(46)48-35(3,4)5)21-25-19-40-20-27(22(25)2)24-15-16-28-26(18-24)31(43-45(28)29-14-10-11-17-47-29)33-41-30(23-12-8-7-9-13-23)32(42-33)36(37,38)39;1-6-41(35(45)47-36(3,4)5)21-25-19-37-20-27(22(25)2)24-15-16-28-26(18-24)31(40-42(28)29-14-10-11-17-46-29)33-38-30(32(39-33)34(43)44)23-12-8-7-9-13-23;1-4-29-14-20-15-30-16-22(17(20)3)19-11-12-23-21(13-19)25(35-34-23)27-32-24(18-9-7-6-8-10-18)26(33-27)28(36)31-5-2;1-6-30(26(33)35-27(3,4)5)16-20-14-28-15-22(18(20)2)19-10-11-24-21(13-19)23(17-32)29-31(24)25-9-7-8-12-34-25;10-9(11,12)8(14)7(13)6-4-2-1-3-5-6;1-2(3)4;/h9-11,14-15,17-18,20-22,31H,7-8,12-13,16,19,23H2,1-6H3,(H,40,46)(H,41,42);7-9,12-13,15-16,18-20,29H,6,10-11,14,17,21H2,1-5H3,(H,41,42);7-9,12-13,15-16,18-20,29H,6,10-11,14,17,21H2,1-5H3,(H,38,39)(H,43,44);6-13,15-16,29H,4-5,14H2,1-3H3,(H,31,36)(H,32,33)(H,34,35);10-11,13-15,17,25H,6-9,12,16H2,1-5H3;1-5H;1H3,(H,3,4);1H3
InChIKeyJWZAYDBKNSXWRU-UHFFFAOYSA-N
MW3198.71 g/mol
LogP37.01
Rot. Bonds40

About acetic acid;azane;tert-butyl N-ethyl-N-[[5-[3-[5-(ethylcarbamoyl)-4-phenyl-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;N-ethyl-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-4-phenyl-1H-imidazole-5-carboxamide;2-[5-[5-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-methyl-3-pyridinyl]-1-(oxan-2-yl)indazol-3-yl]-4-phenyl-1H-imidazole-5-carboxylic acid;3,3,3-trifluoro-1-phenylpropane-1,2-dione

acetic acid;azane;tert-butyl N-ethyl-N-[[5-[3-[5-(ethylcarbamoyl)-4-phenyl-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;N-ethyl-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-4-phenyl-1H-imidazole-5-carboxamide;2-[5-[5-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-methyl-3-pyridinyl]-1-(oxan-2-yl)indazol-3-yl]-4-phenyl-1H-imidazole-5-carboxylic acid;3,3,3-trifluoro-1-phenylpropane-1,2-dione (PubChem CID 160941564) has the molecular formula C176H199F6N31O21 and a molecular weight of 3198.71 g/mol. Its IUPAC name is acetic acid;azane;tert-butyl N-ethyl-N-[[5-[3-[5-(ethylcarbamoyl)-4-phenyl-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;N-ethyl-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-4-phenyl-1H-imidazole-5-carboxamide;2-[5-[5-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-methyl-3-pyridinyl]-1-(oxan-2-yl)indazol-3-yl]-4-phenyl-1H-imidazole-5-carboxylic acid;3,3,3-trifluoro-1-phenylpropane-1,2-dione.

Molecular Properties

Compound Nameacetic acid;azane;tert-butyl N-ethyl-N-[[5-[3-[5-(ethylcarbamoyl)-4-phenyl-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;N-ethyl-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-4-phenyl-1H-imidazole-5-carboxamide;2-[5-[5-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-methyl-3-pyridinyl]-1-(oxan-2-yl)indazol-3-yl]-4-phenyl-1H-imidazole-5-carboxylic acid;3,3,3-trifluoro-1-phenylpropane-1,2-dione
PubChem CID160941564
Molecular FormulaC176H199F6N31O21
Molecular Weight3198.71 g/mol
Exact Mass3196.54
IUPAC Nameacetic acid;azane;tert-butyl N-ethyl-N-[[5-[3-[5-(ethylcarbamoyl)-4-phenyl-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;N-ethyl-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-4-phenyl-1H-imidazole-5-carboxamide;2-[5-[5-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-methyl-3-pyridinyl]-1-(oxan-2-yl)indazol-3-yl]-4-phenyl-1H-imidazole-5-carboxylic acid;3,3,3-trifluoro-1-phenylpropane-1,2-dione
SMILESCC(=O)O.CCN(Cc1cncc(-c2ccc3c(c2)c(-c2nc(-c4ccccc4)c(C(=O)O)[nH]2)nn3C2CCCCO2)c1C)C(=O)OC(C)(C)C.CCN(Cc1cncc(-c2ccc3c(c2)c(-c2nc(-c4ccccc4)c(C(F)(F)F)[nH]2)nn3C2CCCCO2)c1C)C(=O)OC(C)(C)C.CCN(Cc1cncc(-c2ccc3c(c2)c(C=O)nn3C2CCCCO2)c1C)C(=O)OC(C)(C)C.CCNC(=O)c1[nH]c(-c2nn(C3CCCCO3)c3ccc(-c4cncc(CN(CC)C(=O)OC(C)(C)C)c4C)cc23)nc1-c1ccccc1.CCNCc1cncc(-c2ccc3[nH]nc(-c4nc(-c5ccccc5)c(C(=O)NCC)[nH]4)c3c2)c1C.N.O=C(C(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C38H45N7O4.C36H39F3N6O3.C36H40N6O5.C28H29N7O.C27H34N4O4.C9H5F3O2.C2H4O2.H3N/c1-7-40-36(46)34-32(25-14-10-9-11-15-25)41-35(42-34)33-28-20-26(17-18-30(28)45(43-33)31-16-12-13-19-48-31)29-22-39-21-27(24(29)3)23-44(8-2)37(47)49-38(4,5)6;1-6-44(34(46)48-35(3,4)5)21-25-19-40-20-27(22(25)2)24-15-16-28-26(18-24)31(43-45(28)29-14-10-11-17-47-29)33-41-30(23-12-8-7-9-13-23)32(42-33)36(37,38)39;1-6-41(35(45)47-36(3,4)5)21-25-19-37-20-27(22(25)2)24-15-16-28-26(18-24)31(40-42(28)29-14-10-11-17-46-29)33-38-30(32(39-33)34(43)44)23-12-8-7-9-13-23;1-4-29-14-20-15-30-16-22(17(20)3)19-11-12-23-21(13-19)25(35-34-23)27-32-24(18-9-7-6-8-10-18)26(33-27)28(36)31-5-2;1-6-30(26(33)35-27(3,4)5)16-20-14-28-15-22(18(20)2)19-10-11-24-21(13-19)23(17-32)29-31(24)25-9-7-8-12-34-25;10-9(11,12)8(14)7(13)6-4-2-1-3-5-6;1-2(3)4;/h9-11,14-15,17-18,20-22,31H,7-8,12-13,16,19,23H2,1-6H3,(H,40,46)(H,41,42);7-9,12-13,15-16,18-20,29H,6,10-11,14,17,21H2,1-5H3,(H,41,42);7-9,12-13,15-16,18-20,29H,6,10-11,14,17,21H2,1-5H3,(H,38,39)(H,43,44);6-13,15-16,29H,4-5,14H2,1-3H3,(H,31,36)(H,32,33)(H,34,35);10-11,13-15,17,25H,6-9,12,16H2,1-5H3;1-5H;1H3,(H,3,4);1H3
InChIKeyJWZAYDBKNSXWRU-UHFFFAOYSA-N
XLogP37.01
TPSA665.25 Ų
H-Bond Donors11
H-Bond Acceptors39
Rotatable Bonds40
Heavy Atoms234
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003198.71
LogP ≤ 537.01
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze acetic acid;azane;tert-butyl N-ethyl-N-[[5-[3-[5-(ethylcarbamoyl)-4-phenyl-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;N-ethyl-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-4-phenyl-1H-imidazole-5-carboxamide;2-[5-[5-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-methyl-3-pyridinyl]-1-(oxan-2-yl)indazol-3-yl]-4-phenyl-1H-imidazole-5-carboxylic acid;3,3,3-trifluoro-1-phenylpropane-1,2-dione with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of acetic acid;azane;tert-butyl N-ethyl-N-[[5-[3-[5-(ethylcarbamoyl)-4-phenyl-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;N-ethyl-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-4-phenyl-1H-imidazole-5-carboxamide;2-[5-[5-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-methyl-3-pyridinyl]-1-(oxan-2-yl)indazol-3-yl]-4-phenyl-1H-imidazole-5-carboxylic acid;3,3,3-trifluoro-1-phenylpropane-1,2-dione?
The IUPAC name of acetic acid;azane;tert-butyl N-ethyl-N-[[5-[3-[5-(ethylcarbamoyl)-4-phenyl-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;N-ethyl-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-4-phenyl-1H-imidazole-5-carboxamide;2-[5-[5-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-methyl-3-pyridinyl]-1-(oxan-2-yl)indazol-3-yl]-4-phenyl-1H-imidazole-5-carboxylic acid;3,3,3-trifluoro-1-phenylpropane-1,2-dione (CID 160941564) is acetic acid;azane;tert-butyl N-ethyl-N-[[5-[3-[5-(ethylcarbamoyl)-4-phenyl-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;N-ethyl-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-4-phenyl-1H-imidazole-5-carboxamide;2-[5-[5-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-methyl-3-pyridinyl]-1-(oxan-2-yl)indazol-3-yl]-4-phenyl-1H-imidazole-5-carboxylic acid;3,3,3-trifluoro-1-phenylpropane-1,2-dione.
What is the SMILES notation for acetic acid;azane;tert-butyl N-ethyl-N-[[5-[3-[5-(ethylcarbamoyl)-4-phenyl-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;N-ethyl-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-4-phenyl-1H-imidazole-5-carboxamide;2-[5-[5-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-methyl-3-pyridinyl]-1-(oxan-2-yl)indazol-3-yl]-4-phenyl-1H-imidazole-5-carboxylic acid;3,3,3-trifluoro-1-phenylpropane-1,2-dione?
The canonical SMILES for acetic acid;azane;tert-butyl N-ethyl-N-[[5-[3-[5-(ethylcarbamoyl)-4-phenyl-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;N-ethyl-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-4-phenyl-1H-imidazole-5-carboxamide;2-[5-[5-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-methyl-3-pyridinyl]-1-(oxan-2-yl)indazol-3-yl]-4-phenyl-1H-imidazole-5-carboxylic acid;3,3,3-trifluoro-1-phenylpropane-1,2-dione is CC(=O)O.CCN(Cc1cncc(-c2ccc3c(c2)c(-c2nc(-c4ccccc4)c(C(=O)O)[nH]2)nn3C2CCCCO2)c1C)C(=O)OC(C)(C)C.CCN(Cc1cncc(-c2ccc3c(c2)c(-c2nc(-c4ccccc4)c(C(F)(F)F)[nH]2)nn3C2CCCCO2)c1C)C(=O)OC(C)(C)C.CCN(Cc1cncc(-c2ccc3c(c2)c(C=O)nn3C2CCCCO2)c1C)C(=O)OC(C)(C)C.CCNC(=O)c1[nH]c(-c2nn(C3CCCCO3)c3ccc(-c4cncc(CN(CC)C(=O)OC(C)(C)C)c4C)cc23)nc1-c1ccccc1.CCNCc1cncc(-c2ccc3[nH]nc(-c4nc(-c5ccccc5)c(C(=O)NCC)[nH]4)c3c2)c1C.N.O=C(C(=O)C(F)(F)F)c1ccccc1.
What is the InChIKey of acetic acid;azane;tert-butyl N-ethyl-N-[[5-[3-[5-(ethylcarbamoyl)-4-phenyl-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;N-ethyl-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-4-phenyl-1H-imidazole-5-carboxamide;2-[5-[5-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-methyl-3-pyridinyl]-1-(oxan-2-yl)indazol-3-yl]-4-phenyl-1H-imidazole-5-carboxylic acid;3,3,3-trifluoro-1-phenylpropane-1,2-dione?
The InChIKey is JWZAYDBKNSXWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H45N7O4.C36H39F3N6O3.C36H40N6O5.C28H29N7O.C27H34N4O4.C9H5F3O2.C2H4O2.H3N/c1-7-40-36(46)34-32(25-14-10-9-11-15-25)41-35(42-34)33-28-20-26(17-18-30(28)45(43-33)31-16-12-13-19-48-31)29-22-39-21-27(24(29)3)23-44(8-2)37(47)49-38(4,5)6;1-6-44(34(46)48-35(3,4)5)21-25-19-40-20-27(22(25)2)24-15-16-28-26(18-24)31(43-45(28)29-14-10-11-17-47-29)33-41-30(23-12-8-7-9-13-23)32(42-33)36(37,38)39;1-6-41(35(45)47-36(3,4)5)21-25-19-37-20-27(22(25)2)24-15-16-28-26(18-24)31(40-42(28)29-14-10-11-17-46-29)33-38-30(32(39-33)34(43)44)23-12-8-7-9-13-23;1-4-29-14-20-15-30-16-22(17(20)3)19-11-12-23-21(13-19)25(35-34-23)27-32-24(18-9-7-6-8-10-18)26(33-27)28(36)31-5-2;1-6-30(26(33)35-27(3,4)5)16-20-14-28-15-22(18(20)2)19-10-11-24-21(13-19)23(17-32)29-31(24)25-9-7-8-12-34-25;10-9(11,12)8(14)7(13)6-4-2-1-3-5-6;1-2(3)4;/h9-11,14-15,17-18,20-22,31H,7-8,12-13,16,19,23H2,1-6H3,(H,40,46)(H,41,42);7-9,12-13,15-16,18-20,29H,6,10-11,14,17,21H2,1-5H3,(H,41,42);7-9,12-13,15-16,18-20,29H,6,10-11,14,17,21H2,1-5H3,(H,38,39)(H,43,44);6-13,15-16,29H,4-5,14H2,1-3H3,(H,31,36)(H,32,33)(H,34,35);10-11,13-15,17,25H,6-9,12,16H2,1-5H3;1-5H;1H3,(H,3,4);1H3.
What are the key properties of acetic acid;azane;tert-butyl N-ethyl-N-[[5-[3-[5-(ethylcarbamoyl)-4-phenyl-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;N-ethyl-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-4-phenyl-1H-imidazole-5-carboxamide;2-[5-[5-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-methyl-3-pyridinyl]-1-(oxan-2-yl)indazol-3-yl]-4-phenyl-1H-imidazole-5-carboxylic acid;3,3,3-trifluoro-1-phenylpropane-1,2-dione?
acetic acid;azane;tert-butyl N-ethyl-N-[[5-[3-[5-(ethylcarbamoyl)-4-phenyl-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;N-ethyl-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-4-phenyl-1H-imidazole-5-carboxamide;2-[5-[5-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-methyl-3-pyridinyl]-1-(oxan-2-yl)indazol-3-yl]-4-phenyl-1H-imidazole-5-carboxylic acid;3,3,3-trifluoro-1-phenylpropane-1,2-dione has a molecular weight of 3198.71 g/mol, XLogP of 37.01, 40 rotatable bonds, 11 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;azane;tert-butyl N-ethyl-N-[[5-[3-[5-(ethylcarbamoyl)-4-phenyl-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;N-ethyl-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-4-phenyl-1H-imidazole-5-carboxamide;2-[5-[5-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-methyl-3-pyridinyl]-1-(oxan-2-yl)indazol-3-yl]-4-phenyl-1H-imidazole-5-carboxylic acid;3,3,3-trifluoro-1-phenylpropane-1,2-dione is sourced from PubChem (CID 160941564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).