2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetic acid;2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetonitrile;[5-chloro-1-(2-methylpropyl)indazol-7-yl]methanol;3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylic acid;methane;methyl 2-(aminomethyl)pyridine-4-carboxylate;methyl 2-[[[2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetyl]amino]methyl]pyridine-4-carboxylate;methyl 3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylate;phosphoryl trichloride

C114H141Cl9N21O13P — CID 160781016

IUPAC2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetic acid;2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetonitrile;[5-chloro-1-(2-methylpropyl)indazol-7-yl]methanol;3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylic acid;methane;methyl 2-(aminomethyl)pyridine-4-carboxylate;methyl 2-[[[2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetyl]amino]methyl]pyridine-4-carboxylate;methyl 3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylate;phosphoryl trichloride
SMILESC.C.C.C.C.C.CC(C)Cn1ncc2cc(Cl)cc(CC#N)c21.CC(C)Cn1ncc2cc(Cl)cc(CC(=O)O)c21.CC(C)Cn1ncc2cc(Cl)cc(CO)c21.CC(C)Cn1ncc2cc(Cl)cc(Cc3ncc4cc(C(=O)O)ccn34)c21.COC(=O)c1ccn2c(Cc3cc(Cl)cc4cnn(CC(C)C)c34)ncc2c1.COC(=O)c1ccnc(CN)c1.COC(=O)c1ccnc(CNC(=O)Cc2cc(Cl)cc3cnn(CC(C)C)c23)c1.O=P(Cl)(Cl)Cl
InChIInChI=1S/C21H23ClN4O3.C21H21ClN4O2.C20H19ClN4O2.C13H14ClN3.C13H15ClN2O2.C12H15ClN2O.C8H10N2O2.6CH4.Cl3OP/c1-13(2)12-26-20-15(6-17(22)7-16(20)10-25-26)9-19(27)24-11-18-8-14(4-5-23-18)21(28)29-3;1-13(2)12-26-20-15(6-17(22)7-16(20)10-24-26)9-19-23-11-18-8-14(21(27)28-3)4-5-25(18)19;1-12(2)11-25-19-14(5-16(21)6-15(19)9-23-25)8-18-22-10-17-7-13(20(26)27)3-4-24(17)18;1-9(2)8-17-13-10(3-4-15)5-12(14)6-11(13)7-16-17;1-8(2)7-16-13-9(5-12(17)18)3-11(14)4-10(13)6-15-16;1-8(2)6-15-12-9(5-14-15)3-11(13)4-10(12)7-16;1-12-8(11)6-2-3-10-7(4-6)5-9;;;;;;;1-5(2,3)4/h4-8,10,13H,9,11-12H2,1-3H3,(H,24,27);4-8,10-11,13H,9,12H2,1-3H3;3-7,9-10,12H,8,11H2,1-2H3,(H,26,27);5-7,9H,3,8H2,1-2H3;3-4,6,8H,5,7H2,1-2H3,(H,17,18);3-5,8,16H,6-7H2,1-2H3;2-4H,5,9H2,1H3;6*1H4;
InChIKeySAONYNXDTQJFKW-UHFFFAOYSA-N
MW2363.57 g/mol
LogP28.22
Rot. Bonds29

About 2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetic acid;2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetonitrile;[5-chloro-1-(2-methylpropyl)indazol-7-yl]methanol;3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylic acid;methane;methyl 2-(aminomethyl)pyridine-4-carboxylate;methyl 2-[[[2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetyl]amino]methyl]pyridine-4-carboxylate;methyl 3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylate;phosphoryl trichloride

2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetic acid;2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetonitrile;[5-chloro-1-(2-methylpropyl)indazol-7-yl]methanol;3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylic acid;methane;methyl 2-(aminomethyl)pyridine-4-carboxylate;methyl 2-[[[2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetyl]amino]methyl]pyridine-4-carboxylate;methyl 3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylate;phosphoryl trichloride (PubChem CID 160781016) has the molecular formula C114H141Cl9N21O13P and a molecular weight of 2363.57 g/mol. Its IUPAC name is 2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetic acid;2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetonitrile;[5-chloro-1-(2-methylpropyl)indazol-7-yl]methanol;3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylic acid;methane;methyl 2-(aminomethyl)pyridine-4-carboxylate;methyl 2-[[[2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetyl]amino]methyl]pyridine-4-carboxylate;methyl 3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylate;phosphoryl trichloride.

Molecular Properties

Compound Name2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetic acid;2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetonitrile;[5-chloro-1-(2-methylpropyl)indazol-7-yl]methanol;3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylic acid;methane;methyl 2-(aminomethyl)pyridine-4-carboxylate;methyl 2-[[[2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetyl]amino]methyl]pyridine-4-carboxylate;methyl 3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylate;phosphoryl trichloride
PubChem CID160781016
Molecular FormulaC114H141Cl9N21O13P
Molecular Weight2363.57 g/mol
Exact Mass2357.80
IUPAC Name2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetic acid;2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetonitrile;[5-chloro-1-(2-methylpropyl)indazol-7-yl]methanol;3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylic acid;methane;methyl 2-(aminomethyl)pyridine-4-carboxylate;methyl 2-[[[2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetyl]amino]methyl]pyridine-4-carboxylate;methyl 3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylate;phosphoryl trichloride
SMILESC.C.C.C.C.C.CC(C)Cn1ncc2cc(Cl)cc(CC#N)c21.CC(C)Cn1ncc2cc(Cl)cc(CC(=O)O)c21.CC(C)Cn1ncc2cc(Cl)cc(CO)c21.CC(C)Cn1ncc2cc(Cl)cc(Cc3ncc4cc(C(=O)O)ccn34)c21.COC(=O)c1ccn2c(Cc3cc(Cl)cc4cnn(CC(C)C)c34)ncc2c1.COC(=O)c1ccnc(CN)c1.COC(=O)c1ccnc(CNC(=O)Cc2cc(Cl)cc3cnn(CC(C)C)c23)c1.O=P(Cl)(Cl)Cl
InChIInChI=1S/C21H23ClN4O3.C21H21ClN4O2.C20H19ClN4O2.C13H14ClN3.C13H15ClN2O2.C12H15ClN2O.C8H10N2O2.6CH4.Cl3OP/c1-13(2)12-26-20-15(6-17(22)7-16(20)10-25-26)9-19(27)24-11-18-8-14(4-5-23-18)21(28)29-3;1-13(2)12-26-20-15(6-17(22)7-16(20)10-24-26)9-19-23-11-18-8-14(21(27)28-3)4-5-25(18)19;1-12(2)11-25-19-14(5-16(21)6-15(19)9-23-25)8-18-22-10-17-7-13(20(26)27)3-4-24(17)18;1-9(2)8-17-13-10(3-4-15)5-12(14)6-11(13)7-16-17;1-8(2)7-16-13-9(5-12(17)18)3-11(14)4-10(13)6-15-16;1-8(2)6-15-12-9(5-14-15)3-11(13)4-10(12)7-16;1-12-8(11)6-2-3-10-7(4-6)5-9;;;;;;;1-5(2,3)4/h4-8,10,13H,9,11-12H2,1-3H3,(H,24,27);4-8,10-11,13H,9,12H2,1-3H3;3-7,9-10,12H,8,11H2,1-2H3,(H,26,27);5-7,9H,3,8H2,1-2H3;3-4,6,8H,5,7H2,1-2H3,(H,17,18);3-5,8,16H,6-7H2,1-2H3;2-4H,5,9H2,1H3;6*1H4;
InChIKeySAONYNXDTQJFKW-UHFFFAOYSA-N
XLogP28.22
TPSA437.01 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds29
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002363.57
LogP ≤ 528.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze 2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetic acid;2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetonitrile;[5-chloro-1-(2-methylpropyl)indazol-7-yl]methanol;3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylic acid;methane;methyl 2-(aminomethyl)pyridine-4-carboxylate;methyl 2-[[[2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetyl]amino]methyl]pyridine-4-carboxylate;methyl 3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylate;phosphoryl trichloride with MolForge

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Related Compounds

3-Chloro-6-[3-chloro-2-fluoro-5-(imidazol-1-ylmethyl)phenyl]-2-[(2-fluoro-3-methylphenyl)methyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;3-chloro-6-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]-2-[(2-fluoro-3-methylphenyl)methyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;2-[3-chloro-5-[3-chloro-2-[(2-fluoro-3-methylphenyl)methyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl]-4-fluorophenyl]acetonitrile;3-chloro-6-[3-chloro-2-fluoro-5-[(2,2,2-trifluoroethylamino)methyl]phenyl]-2-[(2-fluoro-3-methylphenyl)methyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 157834420
3-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methyl 4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate
CID 160000148
4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol;4-[4-amino-5-[7-(2-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;formaldehyde
CID 157357302
N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2-imidazol-1-ylacetamide;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2-(4-methylpiperazin-1-yl)acetamide;ethyl 6-[2-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]amino]-2-oxoethyl]pyridine-3-carboxylate;methyl 4-[2-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]amino]-2-oxoethyl]benzoate
CID 157637104
3-[5-Chloro-1-[6-(dimethylamino)-3-pyridinyl]indol-3-yl]-4-[1-(2-hydroxyethyl)indazol-3-yl]pyrrole-2,5-dione;3-[1-[3-(dimethylamino)phenyl]indol-3-yl]-4-[1-(2-hydroxyethyl)indazol-3-yl]pyrrole-2,5-dione;methyl 5-[5-chloro-3-[4-[1-(2-hydroxyethyl)indazol-3-yl]-2,5-dioxopyrrol-3-yl]indol-1-yl]pyridine-3-carboxylate
CID 157871589
3-[[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]-N-(4-cyanophenyl)propanamide;3-[[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]-N-methylpropanamide;3-[[5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]-N-(4-methylphenyl)propanamide;methyl 4-[[2-[[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]acetyl]amino]benzoate;methyl 4-[3-[[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]propanoylamino]benzoate
CID 157972509
2-[5-Chloro-1-(2-methylpropyl)indazol-7-yl]acetic acid;2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetonitrile;[5-chloro-1-(2-methylpropyl)indazol-7-yl]methanol;3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylic acid;methane;methyl 2-(aminomethyl)pyridine-4-carboxylate;methyl 2-[[[2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetyl]amino]methyl]pyridine-4-carboxylate;methyl 3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylate;phosphoryl trichloride
CID 158000805
benzyl 1-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[8-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide;1-[[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid;ethyl 3-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanoate;ethyl 2-methylpropanoate;hydrochloride
CID 158006337
[(3R,4S)-1-[2-[(2S)-1-[5-chloro-2-(ethylamino)benzoyl]piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-cyanopyrrolidin-3-yl] 4-(2-morpholin-4-ylethylamino)-4-oxobutanoate;[(3R,4S)-1-[2-[(2S)-1-[5-chloro-2-(ethylamino)benzoyl]piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-cyanopyrrolidin-3-yl] 4-oxopentanoate;[(3R,4S)-1-[2-[(2S)-1-[5-chloro-2-(ethylamino)benzoyl]piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-cyanopyrrolidin-3-yl] pyridine-3-carboxylate
CID 158062477
1-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]pyrazole-4-carboxamide;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide;ethyl 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate
CID 159613718
1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[(1-methylimidazol-4-yl)methyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[(1-methylpiperidin-4-yl)methyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[(1-methylpyrazol-3-yl)methyl]piperidine-4-carboxamide;methyl 3-[[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carbonyl]amino]benzoate
CID 160156548
1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[(1-methylimidazol-4-yl)methyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[(1-methylpyrazol-3-yl)methyl]piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-phenylpiperidine-4-carboxamide;methyl 3-[[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidine-4-carbonyl]amino]benzoate
CID 161684595

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetic acid;2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetonitrile;[5-chloro-1-(2-methylpropyl)indazol-7-yl]methanol;3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylic acid;methane;methyl 2-(aminomethyl)pyridine-4-carboxylate;methyl 2-[[[2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetyl]amino]methyl]pyridine-4-carboxylate;methyl 3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylate;phosphoryl trichloride?
The IUPAC name of 2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetic acid;2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetonitrile;[5-chloro-1-(2-methylpropyl)indazol-7-yl]methanol;3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylic acid;methane;methyl 2-(aminomethyl)pyridine-4-carboxylate;methyl 2-[[[2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetyl]amino]methyl]pyridine-4-carboxylate;methyl 3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylate;phosphoryl trichloride (CID 160781016) is 2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetic acid;2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetonitrile;[5-chloro-1-(2-methylpropyl)indazol-7-yl]methanol;3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylic acid;methane;methyl 2-(aminomethyl)pyridine-4-carboxylate;methyl 2-[[[2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetyl]amino]methyl]pyridine-4-carboxylate;methyl 3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylate;phosphoryl trichloride.
What is the SMILES notation for 2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetic acid;2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetonitrile;[5-chloro-1-(2-methylpropyl)indazol-7-yl]methanol;3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylic acid;methane;methyl 2-(aminomethyl)pyridine-4-carboxylate;methyl 2-[[[2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetyl]amino]methyl]pyridine-4-carboxylate;methyl 3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylate;phosphoryl trichloride?
The canonical SMILES for 2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetic acid;2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetonitrile;[5-chloro-1-(2-methylpropyl)indazol-7-yl]methanol;3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylic acid;methane;methyl 2-(aminomethyl)pyridine-4-carboxylate;methyl 2-[[[2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetyl]amino]methyl]pyridine-4-carboxylate;methyl 3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylate;phosphoryl trichloride is C.C.C.C.C.C.CC(C)Cn1ncc2cc(Cl)cc(CC#N)c21.CC(C)Cn1ncc2cc(Cl)cc(CC(=O)O)c21.CC(C)Cn1ncc2cc(Cl)cc(CO)c21.CC(C)Cn1ncc2cc(Cl)cc(Cc3ncc4cc(C(=O)O)ccn34)c21.COC(=O)c1ccn2c(Cc3cc(Cl)cc4cnn(CC(C)C)c34)ncc2c1.COC(=O)c1ccnc(CN)c1.COC(=O)c1ccnc(CNC(=O)Cc2cc(Cl)cc3cnn(CC(C)C)c23)c1.O=P(Cl)(Cl)Cl.
What is the InChIKey of 2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetic acid;2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetonitrile;[5-chloro-1-(2-methylpropyl)indazol-7-yl]methanol;3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylic acid;methane;methyl 2-(aminomethyl)pyridine-4-carboxylate;methyl 2-[[[2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetyl]amino]methyl]pyridine-4-carboxylate;methyl 3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylate;phosphoryl trichloride?
The InChIKey is SAONYNXDTQJFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3.C21H21ClN4O2.C20H19ClN4O2.C13H14ClN3.C13H15ClN2O2.C12H15ClN2O.C8H10N2O2.6CH4.Cl3OP/c1-13(2)12-26-20-15(6-17(22)7-16(20)10-25-26)9-19(27)24-11-18-8-14(4-5-23-18)21(28)29-3;1-13(2)12-26-20-15(6-17(22)7-16(20)10-24-26)9-19-23-11-18-8-14(21(27)28-3)4-5-25(18)19;1-12(2)11-25-19-14(5-16(21)6-15(19)9-23-25)8-18-22-10-17-7-13(20(26)27)3-4-24(17)18;1-9(2)8-17-13-10(3-4-15)5-12(14)6-11(13)7-16-17;1-8(2)7-16-13-9(5-12(17)18)3-11(14)4-10(13)6-15-16;1-8(2)6-15-12-9(5-14-15)3-11(13)4-10(12)7-16;1-12-8(11)6-2-3-10-7(4-6)5-9;;;;;;;1-5(2,3)4/h4-8,10,13H,9,11-12H2,1-3H3,(H,24,27);4-8,10-11,13H,9,12H2,1-3H3;3-7,9-10,12H,8,11H2,1-2H3,(H,26,27);5-7,9H,3,8H2,1-2H3;3-4,6,8H,5,7H2,1-2H3,(H,17,18);3-5,8,16H,6-7H2,1-2H3;2-4H,5,9H2,1H3;6*1H4;.
What are the key properties of 2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetic acid;2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetonitrile;[5-chloro-1-(2-methylpropyl)indazol-7-yl]methanol;3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylic acid;methane;methyl 2-(aminomethyl)pyridine-4-carboxylate;methyl 2-[[[2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetyl]amino]methyl]pyridine-4-carboxylate;methyl 3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylate;phosphoryl trichloride?
2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetic acid;2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetonitrile;[5-chloro-1-(2-methylpropyl)indazol-7-yl]methanol;3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylic acid;methane;methyl 2-(aminomethyl)pyridine-4-carboxylate;methyl 2-[[[2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetyl]amino]methyl]pyridine-4-carboxylate;methyl 3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylate;phosphoryl trichloride has a molecular weight of 2363.57 g/mol, XLogP of 28.22, 29 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetic acid;2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetonitrile;[5-chloro-1-(2-methylpropyl)indazol-7-yl]methanol;3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylic acid;methane;methyl 2-(aminomethyl)pyridine-4-carboxylate;methyl 2-[[[2-[5-chloro-1-(2-methylpropyl)indazol-7-yl]acetyl]amino]methyl]pyridine-4-carboxylate;methyl 3-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]imidazo[1,5-a]pyridine-7-carboxylate;phosphoryl trichloride is sourced from PubChem (CID 160781016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).