sodium;N-(2-aminophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[[1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carbonyl]amino]phenyl]carbamate;3-(chloromethyl)-5-fluoropyridine;1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylic acid;methane;methyl 4-amino-3-methylbenzoate;methyl 1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylate;methyl 2-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylate;methyl 1H-indazole-5-carboxylate;hydroxide;hydrochloride

C125H120Cl2F6N25NaO17 — CID 158277184

IUPACsodium;N-(2-aminophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[[1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carbonyl]amino]phenyl]carbamate;3-(chloromethyl)-5-fluoropyridine;1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylic acid;methane;methyl 4-amino-3-methylbenzoate;methyl 1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylate;methyl 2-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylate;methyl 1H-indazole-5-carboxylate;hydroxide;hydrochloride
SMILESC.CC(C)(C)OC(=O)Nc1ccccc1N.CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc2c(cnn2Cc2cncc(F)c2)c1.COC(=O)c1ccc(N)c(C)c1.COC(=O)c1ccc2[nH]ncc2c1.COC(=O)c1ccc2c(cnn2Cc2cncc(F)c2)c1.COC(=O)c1ccc2nn(Cc3cncc(F)c3)cc2c1.Cl.Fc1cncc(CCl)c1.Nc1ccccc1NC(=O)c1ccc2c(cnn2Cc2cncc(F)c2)c1.O=C(O)c1ccc2c(cnn2Cc2cncc(F)c2)c1.[Na+].[OH-]
InChIInChI=1S/C25H24FN5O3.C20H16FN5O.2C15H12FN3O2.C14H10FN3O2.C11H16N2O2.C9H8N2O2.C9H11NO2.C6H5ClFN.CH4.ClH.Na.H2O/c1-25(2,3)34-24(33)30-21-7-5-4-6-20(21)29-23(32)17-8-9-22-18(11-17)13-28-31(22)15-16-10-19(26)14-27-12-16;21-16-7-13(9-23-11-16)12-26-19-6-5-14(8-15(19)10-24-26)20(27)25-18-4-2-1-3-17(18)22;1-21-15(20)11-2-3-14-12(5-11)7-18-19(14)9-10-4-13(16)8-17-6-10;1-21-15(20)11-2-3-14-12(5-11)9-19(18-14)8-10-4-13(16)7-17-6-10;15-12-3-9(5-16-7-12)8-18-13-2-1-10(14(19)20)4-11(13)6-17-18;1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12;1-13-9(12)6-2-3-8-7(4-6)5-10-11-8;1-6-5-7(9(11)12-2)3-4-8(6)10;7-2-5-1-6(8)4-9-3-5;;;;/h4-14H,15H2,1-3H3,(H,29,32)(H,30,33);1-11H,12,22H2,(H,25,27);2-8H,9H2,1H3;2-7,9H,8H2,1H3;1-7H,8H2,(H,19,20);4-7H,12H2,1-3H3,(H,13,14);2-5H,1H3,(H,10,11);3-5H,10H2,1-2H3;1,3-4H,2H2;1H4;1H;;1H2/q;;;;;;;;;;;+1;/p-1
InChIKeyUCDFJLCHUDDCIK-UHFFFAOYSA-M
MW2452.38 g/mol
LogP20.97
Rot. Bonds22

About sodium;N-(2-aminophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[[1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carbonyl]amino]phenyl]carbamate;3-(chloromethyl)-5-fluoropyridine;1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylic acid;methane;methyl 4-amino-3-methylbenzoate;methyl 1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylate;methyl 2-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylate;methyl 1H-indazole-5-carboxylate;hydroxide;hydrochloride

sodium;N-(2-aminophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[[1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carbonyl]amino]phenyl]carbamate;3-(chloromethyl)-5-fluoropyridine;1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylic acid;methane;methyl 4-amino-3-methylbenzoate;methyl 1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylate;methyl 2-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylate;methyl 1H-indazole-5-carboxylate;hydroxide;hydrochloride (PubChem CID 158277184) has the molecular formula C125H120Cl2F6N25NaO17 and a molecular weight of 2452.38 g/mol. Its IUPAC name is sodium;N-(2-aminophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[[1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carbonyl]amino]phenyl]carbamate;3-(chloromethyl)-5-fluoropyridine;1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylic acid;methane;methyl 4-amino-3-methylbenzoate;methyl 1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylate;methyl 2-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylate;methyl 1H-indazole-5-carboxylate;hydroxide;hydrochloride.

Molecular Properties

Compound Namesodium;N-(2-aminophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[[1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carbonyl]amino]phenyl]carbamate;3-(chloromethyl)-5-fluoropyridine;1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylic acid;methane;methyl 4-amino-3-methylbenzoate;methyl 1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylate;methyl 2-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylate;methyl 1H-indazole-5-carboxylate;hydroxide;hydrochloride
PubChem CID158277184
Molecular FormulaC125H120Cl2F6N25NaO17
Molecular Weight2452.38 g/mol
Exact Mass2449.85
IUPAC Namesodium;N-(2-aminophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[[1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carbonyl]amino]phenyl]carbamate;3-(chloromethyl)-5-fluoropyridine;1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylic acid;methane;methyl 4-amino-3-methylbenzoate;methyl 1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylate;methyl 2-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylate;methyl 1H-indazole-5-carboxylate;hydroxide;hydrochloride
SMILESC.CC(C)(C)OC(=O)Nc1ccccc1N.CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc2c(cnn2Cc2cncc(F)c2)c1.COC(=O)c1ccc(N)c(C)c1.COC(=O)c1ccc2[nH]ncc2c1.COC(=O)c1ccc2c(cnn2Cc2cncc(F)c2)c1.COC(=O)c1ccc2nn(Cc3cncc(F)c3)cc2c1.Cl.Fc1cncc(CCl)c1.Nc1ccccc1NC(=O)c1ccc2c(cnn2Cc2cncc(F)c2)c1.O=C(O)c1ccc2c(cnn2Cc2cncc(F)c2)c1.[Na+].[OH-]
InChIInChI=1S/C25H24FN5O3.C20H16FN5O.2C15H12FN3O2.C14H10FN3O2.C11H16N2O2.C9H8N2O2.C9H11NO2.C6H5ClFN.CH4.ClH.Na.H2O/c1-25(2,3)34-24(33)30-21-7-5-4-6-20(21)29-23(32)17-8-9-22-18(11-17)13-28-31(22)15-16-10-19(26)14-27-12-16;21-16-7-13(9-23-11-16)12-26-19-6-5-14(8-15(19)10-24-26)20(27)25-18-4-2-1-3-17(18)22;1-21-15(20)11-2-3-14-12(5-11)7-18-19(14)9-10-4-13(16)8-17-6-10;1-21-15(20)11-2-3-14-12(5-11)9-19(18-14)8-10-4-13(16)7-17-6-10;15-12-3-9(5-16-7-12)8-18-13-2-1-10(14(19)20)4-11(13)6-17-18;1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12;1-13-9(12)6-2-3-8-7(4-6)5-10-11-8;1-6-5-7(9(11)12-2)3-4-8(6)10;7-2-5-1-6(8)4-9-3-5;;;;/h4-14H,15H2,1-3H3,(H,29,32)(H,30,33);1-11H,12,22H2,(H,25,27);2-8H,9H2,1H3;2-7,9H,8H2,1H3;1-7H,8H2,(H,19,20);4-7H,12H2,1-3H3,(H,13,14);2-5H,1H3,(H,10,11);3-5H,10H2,1-2H3;1,3-4H,2H2;1H4;1H;;1H2/q;;;;;;;;;;;+1;/p-1
InChIKeyUCDFJLCHUDDCIK-UHFFFAOYSA-M
XLogP20.97
TPSA580.54 Ų
H-Bond Donors9
H-Bond Acceptors36
Rotatable Bonds22
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002452.38
LogP ≤ 520.97
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze sodium;N-(2-aminophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[[1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carbonyl]amino]phenyl]carbamate;3-(chloromethyl)-5-fluoropyridine;1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylic acid;methane;methyl 4-amino-3-methylbenzoate;methyl 1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylate;methyl 2-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylate;methyl 1H-indazole-5-carboxylate;hydroxide;hydrochloride with MolForge

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Related Compounds

N-cyano-3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-methylindazol-3-yl]methyl]pyridine-4-carboxamide;N-cyano-3-[[5-fluoro-1-[2-(3-fluoro-3-methylpyrrolidin-1-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxamide;3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[2-(3-fluoro-3-methylpyrrolidin-1-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid
CID 161624921
2-[5-(3-fluoropropyl)pyrido[3,2-b]indol-8-yl]-1,3,4-oxadiazole;3-(3-nitro-2-pyridinyl)benzohydrazide;3-(3-nitro-2-pyridinyl)benzoic acid;2-[3-(3-nitro-2-pyridinyl)phenyl]-1,3,4-oxadiazole;2-(5H-pyrido[3,2-b]indol-8-yl)-1,3,4-oxadiazole
CID 157800864
Tert-butyl 2-[5-[(1-benzylpyrazol-4-yl)carbamoyl]-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-(4-methylpiperazine-1-carbonyl)indole-1-carboxylate;tert-butyl 2-[5-methoxycarbonyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-5-(4-methylpiperazine-1-carbonyl)indole-1-carboxylate;2-[5-methoxycarbonyl-2-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indole-5-carboxylic acid;5-[5-(4-methylpiperazine-1-carbonyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridine-3-carboxylic acid
CID 158431802
sodium;methane;methyl 4-(5-methyl-2-pyridinyl)-1H-indazole-6-carboxylate;methyl 4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylate;(5-methylpyrazin-2-yl)methanamine;N-[(5-methylpyrazin-2-yl)methyl]-4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxamide;4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylic acid;hydroxide
CID 158824967
N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;tert-butyl N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-yl]carbamate;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide
CID 159200477
N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide
CID 160121805
3-carbamoyl-1-[2-[(2S,4R)-2-[[3-(3-chloro-2-pyridinyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazole-5-carboxylic acid;2-(3-carbamoyl-5-methoxycarbonylindazol-1-yl)acetic acid;(2S,4R)-N-[3-(3-chloro-2-pyridinyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;methyl 3-carbamoyl-1-[2-[(2S,4R)-2-[[3-(3-chloro-2-pyridinyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazole-5-carboxylate;hydrochloride
CID 160852451
6-fluoro-1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[(E)-2-pyridin-3-ylethenyl]indazole;6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carbohydrazide;6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylic acid;6-fluoro-5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole;methyl 6-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazole-5-carboxylate
CID 161402007
2-(1-benzylpiperidin-3-yl)-5-[3-(2-chloro-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-(1-benzylpiperidin-3-yl)-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole;2-[(3R,5S)-1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-5-(3-pyridin-4-yl-1H-indazol-5-yl)-1,3,4-oxadiazole
CID 161677957
sodium;methyl 4-(5-methyl-2-pyridinyl)-1H-indazole-6-carboxylate;methyl 4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylate;(5-methylpyrazin-2-yl)methanamine;N-[(5-methylpyrazin-2-yl)methyl]-4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxamide;4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylic acid;hydroxide
CID 161755687
sodium;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[[1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carbonyl]amino]phenyl]carbamate;3-(chloromethyl)-5-fluoropyridine;1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylic acid;methyl 4-amino-3-methylbenzoate;methyl 1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylate;methyl 2-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylate;methyl 1H-indazole-5-carboxylate;hydroxide;hydrochloride
CID 162158928
N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;tert-butyl N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazol-5-yl]carbamate;N-[(2S)-1-chloro-3-methylbutan-2-yl]-6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1-methylindazole-5-carboxylic acid;6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide
CID 162263908

Frequently Asked Questions

What is the IUPAC name of sodium;N-(2-aminophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[[1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carbonyl]amino]phenyl]carbamate;3-(chloromethyl)-5-fluoropyridine;1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylic acid;methane;methyl 4-amino-3-methylbenzoate;methyl 1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylate;methyl 2-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylate;methyl 1H-indazole-5-carboxylate;hydroxide;hydrochloride?
The IUPAC name of sodium;N-(2-aminophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[[1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carbonyl]amino]phenyl]carbamate;3-(chloromethyl)-5-fluoropyridine;1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylic acid;methane;methyl 4-amino-3-methylbenzoate;methyl 1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylate;methyl 2-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylate;methyl 1H-indazole-5-carboxylate;hydroxide;hydrochloride (CID 158277184) is sodium;N-(2-aminophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[[1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carbonyl]amino]phenyl]carbamate;3-(chloromethyl)-5-fluoropyridine;1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylic acid;methane;methyl 4-amino-3-methylbenzoate;methyl 1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylate;methyl 2-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylate;methyl 1H-indazole-5-carboxylate;hydroxide;hydrochloride.
What is the SMILES notation for sodium;N-(2-aminophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[[1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carbonyl]amino]phenyl]carbamate;3-(chloromethyl)-5-fluoropyridine;1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylic acid;methane;methyl 4-amino-3-methylbenzoate;methyl 1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylate;methyl 2-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylate;methyl 1H-indazole-5-carboxylate;hydroxide;hydrochloride?
The canonical SMILES for sodium;N-(2-aminophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[[1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carbonyl]amino]phenyl]carbamate;3-(chloromethyl)-5-fluoropyridine;1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylic acid;methane;methyl 4-amino-3-methylbenzoate;methyl 1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylate;methyl 2-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylate;methyl 1H-indazole-5-carboxylate;hydroxide;hydrochloride is C.CC(C)(C)OC(=O)Nc1ccccc1N.CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc2c(cnn2Cc2cncc(F)c2)c1.COC(=O)c1ccc(N)c(C)c1.COC(=O)c1ccc2[nH]ncc2c1.COC(=O)c1ccc2c(cnn2Cc2cncc(F)c2)c1.COC(=O)c1ccc2nn(Cc3cncc(F)c3)cc2c1.Cl.Fc1cncc(CCl)c1.Nc1ccccc1NC(=O)c1ccc2c(cnn2Cc2cncc(F)c2)c1.O=C(O)c1ccc2c(cnn2Cc2cncc(F)c2)c1.[Na+].[OH-].
What is the InChIKey of sodium;N-(2-aminophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[[1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carbonyl]amino]phenyl]carbamate;3-(chloromethyl)-5-fluoropyridine;1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylic acid;methane;methyl 4-amino-3-methylbenzoate;methyl 1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylate;methyl 2-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylate;methyl 1H-indazole-5-carboxylate;hydroxide;hydrochloride?
The InChIKey is UCDFJLCHUDDCIK-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H24FN5O3.C20H16FN5O.2C15H12FN3O2.C14H10FN3O2.C11H16N2O2.C9H8N2O2.C9H11NO2.C6H5ClFN.CH4.ClH.Na.H2O/c1-25(2,3)34-24(33)30-21-7-5-4-6-20(21)29-23(32)17-8-9-22-18(11-17)13-28-31(22)15-16-10-19(26)14-27-12-16;21-16-7-13(9-23-11-16)12-26-19-6-5-14(8-15(19)10-24-26)20(27)25-18-4-2-1-3-17(18)22;1-21-15(20)11-2-3-14-12(5-11)7-18-19(14)9-10-4-13(16)8-17-6-10;1-21-15(20)11-2-3-14-12(5-11)9-19(18-14)8-10-4-13(16)7-17-6-10;15-12-3-9(5-16-7-12)8-18-13-2-1-10(14(19)20)4-11(13)6-17-18;1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12;1-13-9(12)6-2-3-8-7(4-6)5-10-11-8;1-6-5-7(9(11)12-2)3-4-8(6)10;7-2-5-1-6(8)4-9-3-5;;;;/h4-14H,15H2,1-3H3,(H,29,32)(H,30,33);1-11H,12,22H2,(H,25,27);2-8H,9H2,1H3;2-7,9H,8H2,1H3;1-7H,8H2,(H,19,20);4-7H,12H2,1-3H3,(H,13,14);2-5H,1H3,(H,10,11);3-5H,10H2,1-2H3;1,3-4H,2H2;1H4;1H;;1H2/q;;;;;;;;;;;+1;/p-1.
What are the key properties of sodium;N-(2-aminophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[[1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carbonyl]amino]phenyl]carbamate;3-(chloromethyl)-5-fluoropyridine;1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylic acid;methane;methyl 4-amino-3-methylbenzoate;methyl 1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylate;methyl 2-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylate;methyl 1H-indazole-5-carboxylate;hydroxide;hydrochloride?
sodium;N-(2-aminophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[[1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carbonyl]amino]phenyl]carbamate;3-(chloromethyl)-5-fluoropyridine;1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylic acid;methane;methyl 4-amino-3-methylbenzoate;methyl 1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylate;methyl 2-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylate;methyl 1H-indazole-5-carboxylate;hydroxide;hydrochloride has a molecular weight of 2452.38 g/mol, XLogP of 20.97, 22 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;N-(2-aminophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[[1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carbonyl]amino]phenyl]carbamate;3-(chloromethyl)-5-fluoropyridine;1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylic acid;methane;methyl 4-amino-3-methylbenzoate;methyl 1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylate;methyl 2-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylate;methyl 1H-indazole-5-carboxylate;hydroxide;hydrochloride is sourced from PubChem (CID 158277184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).