lithium;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-3-carbamoylindazole-5-carbonyl azide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-3-carbamoylindazole-5-carboxylic acid;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(2-hydroxyacetyl)indazole-3-carboxamide;N-(6-bromo-2-pyridinyl)-4-oxopentanamide;2-(3-carbamoyl-5-methoxycarbonylindazol-1-yl)acetic acid;3,3-difluoropiperidine;hydroxide;hydrochloride

C117H126Br5ClF4LiN35O26 — CID 160664333

IUPAClithium;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-3-carbamoylindazole-5-carbonyl azide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-3-carbamoylindazole-5-carboxylic acid;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(2-hydroxyacetyl)indazole-3-carboxamide;N-(6-bromo-2-pyridinyl)-4-oxopentanamide;2-(3-carbamoyl-5-methoxycarbonylindazol-1-yl)acetic acid;3,3-difluoropiperidine;hydroxide;hydrochloride
SMILESCC(=O)CCC(=O)Nc1cccc(Br)n1.CC(C)N(CC(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2cc(C(=O)CO)ccc21.CC(C)N(CC(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2cc(C(=O)N=[N+]=[N-])ccc21.CC(C)N(CC(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2cc(C(=O)O)ccc21.CC(C)N(CC(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2cc(NC(=O)N3CCCC(F)(F)C3)ccc21.COC(=O)c1ccc2c(c1)c(C(N)=O)nn2CC(=O)O.Cl.FC1(F)CCCNC1.[Li+].[OH-]
InChIInChI=1S/C26H29BrF2N8O4.C22H23BrN6O5.C21H20BrN9O4.C21H21BrN6O5.C12H11N3O5.C10H11BrN2O2.C5H9F2N.ClH.Li.H2O/c1-15(2)36(12-21(38)33-20-6-3-5-19(27)32-20)22(39)13-37-18-8-7-16(11-17(18)23(34-37)24(30)40)31-25(41)35-10-4-9-26(28,29)14-35;1-12(2)28(9-19(32)26-18-5-3-4-17(23)25-18)20(33)10-29-15-7-6-13(16(31)11-30)8-14(15)21(27-29)22(24)34;1-11(2)30(9-17(32)26-16-5-3-4-15(22)25-16)18(33)10-31-14-7-6-12(21(35)27-29-24)8-13(14)19(28-31)20(23)34;1-11(2)27(9-17(29)25-16-5-3-4-15(22)24-16)18(30)10-28-14-7-6-12(21(32)33)8-13(14)19(26-28)20(23)31;1-20-12(19)6-2-3-8-7(4-6)10(11(13)18)14-15(8)5-9(16)17;1-7(14)5-6-10(15)13-9-4-2-3-8(11)12-9;6-5(7)2-1-3-8-4-5;;;/h3,5-8,11,15H,4,9-10,12-14H2,1-2H3,(H2,30,40)(H,31,41)(H,32,33,38);3-8,12,30H,9-11H2,1-2H3,(H2,24,34)(H,25,26,32);3-8,11H,9-10H2,1-2H3,(H2,23,34)(H,25,26,32);3-8,11H,9-10H2,1-2H3,(H2,23,31)(H,32,33)(H,24,25,29);2-4H,5H2,1H3,(H2,13,18)(H,16,17);2-4H,5-6H2,1H3,(H,12,13,15);8H,1-4H2;1H;;1H2/q;;;;;;;;+1;/p-1
InChIKeyKEVKNFWVKBKUMQ-UHFFFAOYSA-M
MW2956.42 g/mol
LogP9.67
Rot. Bonds41

About lithium;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-3-carbamoylindazole-5-carbonyl azide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-3-carbamoylindazole-5-carboxylic acid;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(2-hydroxyacetyl)indazole-3-carboxamide;N-(6-bromo-2-pyridinyl)-4-oxopentanamide;2-(3-carbamoyl-5-methoxycarbonylindazol-1-yl)acetic acid;3,3-difluoropiperidine;hydroxide;hydrochloride

lithium;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-3-carbamoylindazole-5-carbonyl azide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-3-carbamoylindazole-5-carboxylic acid;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(2-hydroxyacetyl)indazole-3-carboxamide;N-(6-bromo-2-pyridinyl)-4-oxopentanamide;2-(3-carbamoyl-5-methoxycarbonylindazol-1-yl)acetic acid;3,3-difluoropiperidine;hydroxide;hydrochloride (PubChem CID 160664333) has the molecular formula C117H126Br5ClF4LiN35O26 and a molecular weight of 2956.42 g/mol. Its IUPAC name is lithium;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-3-carbamoylindazole-5-carbonyl azide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-3-carbamoylindazole-5-carboxylic acid;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(2-hydroxyacetyl)indazole-3-carboxamide;N-(6-bromo-2-pyridinyl)-4-oxopentanamide;2-(3-carbamoyl-5-methoxycarbonylindazol-1-yl)acetic acid;3,3-difluoropiperidine;hydroxide;hydrochloride.

Molecular Properties

Compound Namelithium;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-3-carbamoylindazole-5-carbonyl azide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-3-carbamoylindazole-5-carboxylic acid;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(2-hydroxyacetyl)indazole-3-carboxamide;N-(6-bromo-2-pyridinyl)-4-oxopentanamide;2-(3-carbamoyl-5-methoxycarbonylindazol-1-yl)acetic acid;3,3-difluoropiperidine;hydroxide;hydrochloride
PubChem CID160664333
Molecular FormulaC117H126Br5ClF4LiN35O26
Molecular Weight2956.42 g/mol
Exact Mass2949.53
IUPAC Namelithium;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-3-carbamoylindazole-5-carbonyl azide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-3-carbamoylindazole-5-carboxylic acid;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(2-hydroxyacetyl)indazole-3-carboxamide;N-(6-bromo-2-pyridinyl)-4-oxopentanamide;2-(3-carbamoyl-5-methoxycarbonylindazol-1-yl)acetic acid;3,3-difluoropiperidine;hydroxide;hydrochloride
SMILESCC(=O)CCC(=O)Nc1cccc(Br)n1.CC(C)N(CC(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2cc(C(=O)CO)ccc21.CC(C)N(CC(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2cc(C(=O)N=[N+]=[N-])ccc21.CC(C)N(CC(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2cc(C(=O)O)ccc21.CC(C)N(CC(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2cc(NC(=O)N3CCCC(F)(F)C3)ccc21.COC(=O)c1ccc2c(c1)c(C(N)=O)nn2CC(=O)O.Cl.FC1(F)CCCNC1.[Li+].[OH-]
InChIInChI=1S/C26H29BrF2N8O4.C22H23BrN6O5.C21H20BrN9O4.C21H21BrN6O5.C12H11N3O5.C10H11BrN2O2.C5H9F2N.ClH.Li.H2O/c1-15(2)36(12-21(38)33-20-6-3-5-19(27)32-20)22(39)13-37-18-8-7-16(11-17(18)23(34-37)24(30)40)31-25(41)35-10-4-9-26(28,29)14-35;1-12(2)28(9-19(32)26-18-5-3-4-17(23)25-18)20(33)10-29-15-7-6-13(16(31)11-30)8-14(15)21(27-29)22(24)34;1-11(2)30(9-17(32)26-16-5-3-4-15(22)25-16)18(33)10-31-14-7-6-12(21(35)27-29-24)8-13(14)19(28-31)20(23)34;1-11(2)27(9-17(29)25-16-5-3-4-15(22)24-16)18(30)10-28-14-7-6-12(21(32)33)8-13(14)19(26-28)20(23)31;1-20-12(19)6-2-3-8-7(4-6)10(11(13)18)14-15(8)5-9(16)17;1-7(14)5-6-10(15)13-9-4-2-3-8(11)12-9;6-5(7)2-1-3-8-4-5;;;/h3,5-8,11,15H,4,9-10,12-14H2,1-2H3,(H2,30,40)(H,31,41)(H,32,33,38);3-8,12,30H,9-11H2,1-2H3,(H2,24,34)(H,25,26,32);3-8,11H,9-10H2,1-2H3,(H2,23,34)(H,25,26,32);3-8,11H,9-10H2,1-2H3,(H2,23,31)(H,32,33)(H,24,25,29);2-4H,5H2,1H3,(H2,13,18)(H,16,17);2-4H,5-6H2,1H3,(H,12,13,15);8H,1-4H2;1H;;1H2/q;;;;;;;;+1;/p-1
InChIKeyKEVKNFWVKBKUMQ-UHFFFAOYSA-M
XLogP9.67
TPSA891.21 Ų
H-Bond Donors15
H-Bond Acceptors40
Rotatable Bonds41
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002956.42
LogP ≤ 59.67
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze lithium;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-3-carbamoylindazole-5-carbonyl azide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-3-carbamoylindazole-5-carboxylic acid;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(2-hydroxyacetyl)indazole-3-carboxamide;N-(6-bromo-2-pyridinyl)-4-oxopentanamide;2-(3-carbamoyl-5-methoxycarbonylindazol-1-yl)acetic acid;3,3-difluoropiperidine;hydroxide;hydrochloride with MolForge

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Related Compounds

lithium;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-3-carbamoylindazole-5-carbonyl azide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-3-carbamoylindazole-5-carboxylic acid;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(2-hydroxyacetyl)indazole-3-carboxamide;N-(6-bromo-2-pyridinyl)-4-methylpentanamide;2-(3-carbamoyl-5-methoxycarbonylindazol-1-yl)acetic acid;3,3-difluoropiperidine;hydroxide;hydrochloride
CID 157223989
(1R,22R,25R)-16-acetyl-25-[2-[6-bromo-3-(methoxymethyl)-2-pyridinyl]ethyl]-13-(2-methylpyrimidin-5-yl)-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-8,11(26),12,14,16-pentaene-4,20-dione;(1R,22R,25S)-16-acetyl-N-[6-bromo-3-(methoxymethyl)-2-pyridinyl]-13-(2-methylpyrimidin-5-yl)-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-13-(2-methylpyrimidin-5-yl)-N-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-4,20-dioxo-3,5,17,18,21-pentazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,21R,24S)-15-acetyl-12-(2-methylpyrimidin-5-yl)-N-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-4,19-dioxo-3,5,16,17,20-pentazapentacyclo[18.2.2.110,14.01,21.017,25]pentacosa-10(25),11,13,15-tetraene-24-carboxamide
CID 157322524
CID 157393989
CID 157393989
1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-3-carbamoylindazole-5-carboxylic acid;1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-isocyanatoindazole-3-carboxamide;3,3-difluoropiperidine;2-methyloxolane
CID 157536183
2-[3-acetyl-5-(6-methyl-3-pyridinyl)indazol-1-yl]acetic acid;2-[3-acetyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetic acid;(1R,20S,22R)-21-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetyl]-15-bromo-5,5-difluoro-10-oxa-3,16,18,21-tetrazatetracyclo[18.3.1.01,22.012,17]tetracosa-12(17),13,15-triene-4,19-dione;bis((1R,20S,22R)-15-bromo-5,5-difluoro-10-oxa-3,16,18,21-tetrazatetracyclo[18.3.1.01,22.012,17]tetracosa-12(17),13,15-triene-4,19-dione);tert-butyl (1R,20S,22R)-15-bromo-5,5-difluoro-4,19-dioxo-10-oxa-3,16,18,21-tetrazatetracyclo[18.3.1.01,22.012,17]tetracosa-12(17),13,15-triene-21-carboxylate
CID 157665467
1-[3-acetyl-5-bromo-7-(prop-2-enoxymethyl)indazol-1-yl]propan-2-one;2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(prop-2-enoxymethyl)indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(prop-2-enoxymethyl)indazol-1-yl]acetyl]-5-[(2,2-difluoronon-3-enoylamino)methyl]-N-(3,6-dimethyl-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;1-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(prop-2-enoxymethyl)indazol-1-yl]propan-2-one;1-[3-acetyl-7-(prop-2-enoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]propan-2-one;5-bromo-2-methylpyrimidine;(1R,3S,5R)-5-[(2,2-difluoronon-3-enoylamino)methyl]-N-(3,6-dimethyl-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158282816
CID 159171688
CID 159171688
2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;3-amino-1H-pyridin-2-one;3-amino-1-pyridin-2-ylpyridin-2-one;benzyl carbonochloridate;benzyl 2-(2-oxo-1H-pyridin-3-yl)acetate;benzyl 2-(2-oxo-1-pyridin-2-yl-3-pyridinyl)acetate;2-bromopyridine;tert-butyl (1R,3S,5R)-5-methyl-3-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;methane;N-methylbutan-1-amine;(1R,3S,5R)-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(1R,3S,5R)-5-methyl-N-(2-oxo-1-pyridin-2-yl-3-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetaldehyde
CID 160780550
1-[3-acetyl-5-bromo-7-(prop-2-enoxymethyl)indazol-1-yl]propan-2-one;2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(prop-2-enoxymethyl)indazol-1-yl]acetic acid;(1R,3S,5R)-2-[2-[3-acetyl-5-(5-methylpyrimidin-2-yl)-7-(prop-2-enoxymethyl)indazol-1-yl]acetyl]-5-[(2,2-difluoronon-3-enoylamino)methyl]-N-(3,6-dimethyl-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;1-[3-acetyl-5-(2-methylpyrimidin-5-yl)-7-(prop-2-enoxymethyl)indazol-1-yl]propan-2-one;1-[3-acetyl-7-(prop-2-enoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]propan-2-one;5-bromo-2-methylpyrimidine;(1R,3S,5R)-5-[(2,2-difluoronon-3-enoylamino)methyl]-N-(3,6-dimethyl-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 161605382
lithium;(5R,7S,28S)-23-acetyl-N-(6-bromo-3-methyl-2-pyridinyl)-3,17-dioxo-9-oxa-1,4,16,18,24-pentazapentacyclo[17.5.2.24,7.05,7.022,25]octacosa-11,19(26),20,22(25),23-pentaene-28-carboxamide;3-acetyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indazole-6-carboxylic acid;2-[3-acetyl-6-(pent-4-enylcarbamoylamino)indazol-1-yl]acetic acid;(1R,3S,5S)-2-[2-[3-acetyl-6-(pent-4-enylcarbamoylamino)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-(prop-2-enoxymethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;(1R,3S,5S)-N-(6-bromo-3-methyl-2-pyridinyl)-5-(prop-2-enoxymethyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;tert-butyl 2-[3-acetyl-6-(pent-4-enylcarbamoylamino)indazol-1-yl]acetate;pent-4-en-1-amine;hydroxide
CID 157208240
CID 157352147
CID 157352147
CID 157525877
CID 157525877

Frequently Asked Questions

What is the IUPAC name of lithium;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-3-carbamoylindazole-5-carbonyl azide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-3-carbamoylindazole-5-carboxylic acid;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(2-hydroxyacetyl)indazole-3-carboxamide;N-(6-bromo-2-pyridinyl)-4-oxopentanamide;2-(3-carbamoyl-5-methoxycarbonylindazol-1-yl)acetic acid;3,3-difluoropiperidine;hydroxide;hydrochloride?
The IUPAC name of lithium;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-3-carbamoylindazole-5-carbonyl azide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-3-carbamoylindazole-5-carboxylic acid;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(2-hydroxyacetyl)indazole-3-carboxamide;N-(6-bromo-2-pyridinyl)-4-oxopentanamide;2-(3-carbamoyl-5-methoxycarbonylindazol-1-yl)acetic acid;3,3-difluoropiperidine;hydroxide;hydrochloride (CID 160664333) is lithium;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-3-carbamoylindazole-5-carbonyl azide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-3-carbamoylindazole-5-carboxylic acid;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(2-hydroxyacetyl)indazole-3-carboxamide;N-(6-bromo-2-pyridinyl)-4-oxopentanamide;2-(3-carbamoyl-5-methoxycarbonylindazol-1-yl)acetic acid;3,3-difluoropiperidine;hydroxide;hydrochloride.
What is the SMILES notation for lithium;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-3-carbamoylindazole-5-carbonyl azide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-3-carbamoylindazole-5-carboxylic acid;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(2-hydroxyacetyl)indazole-3-carboxamide;N-(6-bromo-2-pyridinyl)-4-oxopentanamide;2-(3-carbamoyl-5-methoxycarbonylindazol-1-yl)acetic acid;3,3-difluoropiperidine;hydroxide;hydrochloride?
The canonical SMILES for lithium;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-3-carbamoylindazole-5-carbonyl azide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-3-carbamoylindazole-5-carboxylic acid;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(2-hydroxyacetyl)indazole-3-carboxamide;N-(6-bromo-2-pyridinyl)-4-oxopentanamide;2-(3-carbamoyl-5-methoxycarbonylindazol-1-yl)acetic acid;3,3-difluoropiperidine;hydroxide;hydrochloride is CC(=O)CCC(=O)Nc1cccc(Br)n1.CC(C)N(CC(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2cc(C(=O)CO)ccc21.CC(C)N(CC(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2cc(C(=O)N=[N+]=[N-])ccc21.CC(C)N(CC(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2cc(C(=O)O)ccc21.CC(C)N(CC(=O)Nc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2cc(NC(=O)N3CCCC(F)(F)C3)ccc21.COC(=O)c1ccc2c(c1)c(C(N)=O)nn2CC(=O)O.Cl.FC1(F)CCCNC1.[Li+].[OH-].
What is the InChIKey of lithium;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-3-carbamoylindazole-5-carbonyl azide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-3-carbamoylindazole-5-carboxylic acid;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(2-hydroxyacetyl)indazole-3-carboxamide;N-(6-bromo-2-pyridinyl)-4-oxopentanamide;2-(3-carbamoyl-5-methoxycarbonylindazol-1-yl)acetic acid;3,3-difluoropiperidine;hydroxide;hydrochloride?
The InChIKey is KEVKNFWVKBKUMQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H29BrF2N8O4.C22H23BrN6O5.C21H20BrN9O4.C21H21BrN6O5.C12H11N3O5.C10H11BrN2O2.C5H9F2N.ClH.Li.H2O/c1-15(2)36(12-21(38)33-20-6-3-5-19(27)32-20)22(39)13-37-18-8-7-16(11-17(18)23(34-37)24(30)40)31-25(41)35-10-4-9-26(28,29)14-35;1-12(2)28(9-19(32)26-18-5-3-4-17(23)25-18)20(33)10-29-15-7-6-13(16(31)11-30)8-14(15)21(27-29)22(24)34;1-11(2)30(9-17(32)26-16-5-3-4-15(22)25-16)18(33)10-31-14-7-6-12(21(35)27-29-24)8-13(14)19(28-31)20(23)34;1-11(2)27(9-17(29)25-16-5-3-4-15(22)24-16)18(30)10-28-14-7-6-12(21(32)33)8-13(14)19(26-28)20(23)31;1-20-12(19)6-2-3-8-7(4-6)10(11(13)18)14-15(8)5-9(16)17;1-7(14)5-6-10(15)13-9-4-2-3-8(11)12-9;6-5(7)2-1-3-8-4-5;;;/h3,5-8,11,15H,4,9-10,12-14H2,1-2H3,(H2,30,40)(H,31,41)(H,32,33,38);3-8,12,30H,9-11H2,1-2H3,(H2,24,34)(H,25,26,32);3-8,11H,9-10H2,1-2H3,(H2,23,34)(H,25,26,32);3-8,11H,9-10H2,1-2H3,(H2,23,31)(H,32,33)(H,24,25,29);2-4H,5H2,1H3,(H2,13,18)(H,16,17);2-4H,5-6H2,1H3,(H,12,13,15);8H,1-4H2;1H;;1H2/q;;;;;;;;+1;/p-1.
What are the key properties of lithium;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-3-carbamoylindazole-5-carbonyl azide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-3-carbamoylindazole-5-carboxylic acid;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(2-hydroxyacetyl)indazole-3-carboxamide;N-(6-bromo-2-pyridinyl)-4-oxopentanamide;2-(3-carbamoyl-5-methoxycarbonylindazol-1-yl)acetic acid;3,3-difluoropiperidine;hydroxide;hydrochloride?
lithium;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-3-carbamoylindazole-5-carbonyl azide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-3-carbamoylindazole-5-carboxylic acid;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(2-hydroxyacetyl)indazole-3-carboxamide;N-(6-bromo-2-pyridinyl)-4-oxopentanamide;2-(3-carbamoyl-5-methoxycarbonylindazol-1-yl)acetic acid;3,3-difluoropiperidine;hydroxide;hydrochloride has a molecular weight of 2956.42 g/mol, XLogP of 9.67, 41 rotatable bonds, 15 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-3-carbamoylindazole-5-carbonyl azide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-3-carbamoylindazole-5-carboxylic acid;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-[(3,3-difluoropiperidine-1-carbonyl)amino]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(2-hydroxyacetyl)indazole-3-carboxamide;N-(6-bromo-2-pyridinyl)-4-oxopentanamide;2-(3-carbamoyl-5-methoxycarbonylindazol-1-yl)acetic acid;3,3-difluoropiperidine;hydroxide;hydrochloride is sourced from PubChem (CID 160664333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).