3-(1,2-benzoxazol-3-ylmethyl)pyridine-4-carboxylic acid;3-[(5-chloro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;bis(3-[(1,6-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid);3-[(5-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;methane;3-[(6-methoxy-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(2-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid

C142H134ClFN26O20 — CID 158713567

IUPAC3-(1,2-benzoxazol-3-ylmethyl)pyridine-4-carboxylic acid;3-[(5-chloro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;bis(3-[(1,6-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid);3-[(5-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;methane;3-[(6-methoxy-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(2-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid
SMILESC.C.C.CCCn1nc(Cc2cnccc2C(=O)O)c2ccccc21.COc1ccc2c(Cc3cnccc3C(=O)O)nn(C)c2c1.Cc1ccc2c(Cc3cnccc3C(=O)O)nn(C)c2c1.Cc1ccc2c(Cc3cnccc3C(=O)O)nn(C)c2c1.Cn1nc(Cc2cnccc2C(=O)O)c2cc(Cl)ccc21.Cn1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21.Cn1nc(Cc2cnccc2C(=O)O)c2ccccc21.Cn1nc2ccccc2c1Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1noc2ccccc12
InChIInChI=1S/C17H17N3O2.C16H15N3O3.2C16H15N3O2.C15H12ClN3O2.C15H12FN3O2.2C15H13N3O2.C14H10N2O3.3CH4/c1-2-9-20-16-6-4-3-5-14(16)15(19-20)10-12-11-18-8-7-13(12)17(21)22;1-19-15-8-11(22-2)3-4-13(15)14(18-19)7-10-9-17-6-5-12(10)16(20)21;2*1-10-3-4-13-14(18-19(2)15(13)7-10)8-11-9-17-6-5-12(11)16(20)21;2*1-19-14-3-2-10(16)7-12(14)13(18-19)6-9-8-17-5-4-11(9)15(20)21;1-18-14-5-3-2-4-12(14)13(17-18)8-10-9-16-7-6-11(10)15(19)20;1-18-14(12-4-2-3-5-13(12)17-18)8-10-9-16-7-6-11(10)15(19)20;17-14(18)10-5-6-15-8-9(10)7-12-11-3-1-2-4-13(11)19-16-12;;;/h3-8,11H,2,9-10H2,1H3,(H,21,22);3-6,8-9H,7H2,1-2H3,(H,20,21);2*3-7,9H,8H2,1-2H3,(H,20,21);2*2-5,7-8H,6H2,1H3,(H,20,21);2*2-7,9H,8H2,1H3,(H,19,20);1-6,8H,7H2,(H,17,18);3*1H4
InChIKeyIJAJQACUSLKVGH-UHFFFAOYSA-N
MW2579.25 g/mol
LogP24.77
Rot. Bonds30

About 3-(1,2-benzoxazol-3-ylmethyl)pyridine-4-carboxylic acid;3-[(5-chloro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;bis(3-[(1,6-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid);3-[(5-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;methane;3-[(6-methoxy-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(2-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid

3-(1,2-benzoxazol-3-ylmethyl)pyridine-4-carboxylic acid;3-[(5-chloro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;bis(3-[(1,6-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid);3-[(5-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;methane;3-[(6-methoxy-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(2-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid (PubChem CID 158713567) has the molecular formula C142H134ClFN26O20 and a molecular weight of 2579.25 g/mol. Its IUPAC name is 3-(1,2-benzoxazol-3-ylmethyl)pyridine-4-carboxylic acid;3-[(5-chloro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;bis(3-[(1,6-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid);3-[(5-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;methane;3-[(6-methoxy-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(2-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(1,2-benzoxazol-3-ylmethyl)pyridine-4-carboxylic acid;3-[(5-chloro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;bis(3-[(1,6-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid);3-[(5-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;methane;3-[(6-methoxy-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(2-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid
PubChem CID158713567
Molecular FormulaC142H134ClFN26O20
Molecular Weight2579.25 g/mol
Exact Mass2576.99
IUPAC Name3-(1,2-benzoxazol-3-ylmethyl)pyridine-4-carboxylic acid;3-[(5-chloro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;bis(3-[(1,6-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid);3-[(5-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;methane;3-[(6-methoxy-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(2-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid
SMILESC.C.C.CCCn1nc(Cc2cnccc2C(=O)O)c2ccccc21.COc1ccc2c(Cc3cnccc3C(=O)O)nn(C)c2c1.Cc1ccc2c(Cc3cnccc3C(=O)O)nn(C)c2c1.Cc1ccc2c(Cc3cnccc3C(=O)O)nn(C)c2c1.Cn1nc(Cc2cnccc2C(=O)O)c2cc(Cl)ccc21.Cn1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21.Cn1nc(Cc2cnccc2C(=O)O)c2ccccc21.Cn1nc2ccccc2c1Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1noc2ccccc12
InChIInChI=1S/C17H17N3O2.C16H15N3O3.2C16H15N3O2.C15H12ClN3O2.C15H12FN3O2.2C15H13N3O2.C14H10N2O3.3CH4/c1-2-9-20-16-6-4-3-5-14(16)15(19-20)10-12-11-18-8-7-13(12)17(21)22;1-19-15-8-11(22-2)3-4-13(15)14(18-19)7-10-9-17-6-5-12(10)16(20)21;2*1-10-3-4-13-14(18-19(2)15(13)7-10)8-11-9-17-6-5-12(11)16(20)21;2*1-19-14-3-2-10(16)7-12(14)13(18-19)6-9-8-17-5-4-11(9)15(20)21;1-18-14-5-3-2-4-12(14)13(17-18)8-10-9-16-7-6-11(10)15(19)20;1-18-14(12-4-2-3-5-13(12)17-18)8-10-9-16-7-6-11(10)15(19)20;17-14(18)10-5-6-15-8-9(10)7-12-11-3-1-2-4-13(11)19-16-12;;;/h3-8,11H,2,9-10H2,1H3,(H,21,22);3-6,8-9H,7H2,1-2H3,(H,20,21);2*3-7,9H,8H2,1-2H3,(H,20,21);2*2-5,7-8H,6H2,1H3,(H,20,21);2*2-7,9H,8H2,1H3,(H,19,20);1-6,8H,7H2,(H,17,18);3*1H4
InChIKeyIJAJQACUSLKVGH-UHFFFAOYSA-N
XLogP24.77
TPSA629.53 Ų
H-Bond Donors9
H-Bond Acceptors37
Rotatable Bonds30
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002579.25
LogP ≤ 524.77
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1037

Analyze 3-(1,2-benzoxazol-3-ylmethyl)pyridine-4-carboxylic acid;3-[(5-chloro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;bis(3-[(1,6-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid);3-[(5-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;methane;3-[(6-methoxy-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(2-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid with MolForge

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Related Compounds

6-(5-cyclopropyl-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(2,5-dimethylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(2,6-dimethylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(5-methoxy-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(6-methoxy-2-methylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-5-(trifluoromethoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 157363888
3-[[5-(1,1-Difluoroethyl)-1-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(1,5-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(4-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-(2-methoxyethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(6-methoxy-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid
CID 162199239
4-[4-(2-amino-4-oxopent-2-en-3-yl)-2-[[phenyl(pyridin-2-yl)methyl]amino]benzenecarboximidoyl]benzoic acid;2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]indazol-3-yl]phenyl]acetic acid;methyl 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]indazol-3-yl]phenyl]acetate;methyl 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-pyridin-2-ylethyl]indazol-3-yl]benzoate
CID 157207684
4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3-ethyl-5-methyl-1,2-oxazole;4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-5-ethyl-3-methyl-1,2-oxazole;4-[1-(5-cyclopropyl-1,3-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(5-cyclopropyl-3-methyl-2H-pyrrol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3,5-diethyl-2H-pyrrol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3,5-dimethyl-2H-pyrrol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;methane;4-[8-methoxy-1-(3-methyl-5-phenyl-2H-pyrrol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(1,3,5-trimethylpyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 157775036
N-[1-(3-chlorophenyl)cyclopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(4-fluorophenyl)cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(3-methylphenyl)cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide;4-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]cyclopropyl]benzoic acid
CID 157930424
3-(1,2-Benzoxazol-3-ylmethyl)pyridine-4-carboxylic acid;bis(3-[(1,5-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid);bis(3-[(1,6-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid);3-[(6-methoxy-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(2-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid
CID 157979464
1,7-bis(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole;1-chloro-7-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indole;4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3-ethyl-5-methyl-1,2-oxazole;4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-5-ethyl-3-methyl-1,2-oxazole;4-[1-(5-cyclopropyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3,5-diethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(5-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 158467938
3-(1,2-Benzoxazol-3-ylmethyl)pyridine-4-carboxylic acid;3-[(5-chloro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;bis(3-[(1,6-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid);3-[(5-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(2-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid
CID 158490819
4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3-ethyl-5-methyl-1,2-oxazole;4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-5-ethyl-3-methyl-1,2-oxazole;4-[1-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(5-cyclopropyl-1,3-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(1,3,5-trimethylpyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 158960857
4-(1-chloro-8-methoxy-3-methyl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;1-chloro-8-methoxy-7-(1,3,5-trimethylpyrazol-4-yl)-5H-pyrido[4,3-b]indole;4-(1-chloro-3-methyl-5H-pyrido[4,3-b]indol-8-yl)-3,5-dimethyl-1,2-oxazole;4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3-methyl-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-5H-pyrido[4,3-b]indol-8-yl]-3,5-dimethyl-1,2-oxazole;8-methoxy-1,7-bis(1,3,5-trimethylpyrazol-4-yl)-5H-pyrido[4,3-b]indole;4-[8-methoxy-1-(2-methyl-1H-indol-3-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-quinolin-4-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
CID 159284147
6-[6-(2-chloro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(N,3-dimethylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-[6-(N,4-dimethylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(2-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 159605700
6-[2-methyl-6-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[2-methyl-6-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);bis(6-[2-methyl-6-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-(2-methyl-6-phenoxyindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 159621128

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-benzoxazol-3-ylmethyl)pyridine-4-carboxylic acid;3-[(5-chloro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;bis(3-[(1,6-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid);3-[(5-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;methane;3-[(6-methoxy-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(2-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid?
The IUPAC name of 3-(1,2-benzoxazol-3-ylmethyl)pyridine-4-carboxylic acid;3-[(5-chloro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;bis(3-[(1,6-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid);3-[(5-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;methane;3-[(6-methoxy-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(2-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid (CID 158713567) is 3-(1,2-benzoxazol-3-ylmethyl)pyridine-4-carboxylic acid;3-[(5-chloro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;bis(3-[(1,6-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid);3-[(5-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;methane;3-[(6-methoxy-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(2-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(1,2-benzoxazol-3-ylmethyl)pyridine-4-carboxylic acid;3-[(5-chloro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;bis(3-[(1,6-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid);3-[(5-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;methane;3-[(6-methoxy-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(2-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 3-(1,2-benzoxazol-3-ylmethyl)pyridine-4-carboxylic acid;3-[(5-chloro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;bis(3-[(1,6-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid);3-[(5-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;methane;3-[(6-methoxy-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(2-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid is C.C.C.CCCn1nc(Cc2cnccc2C(=O)O)c2ccccc21.COc1ccc2c(Cc3cnccc3C(=O)O)nn(C)c2c1.Cc1ccc2c(Cc3cnccc3C(=O)O)nn(C)c2c1.Cc1ccc2c(Cc3cnccc3C(=O)O)nn(C)c2c1.Cn1nc(Cc2cnccc2C(=O)O)c2cc(Cl)ccc21.Cn1nc(Cc2cnccc2C(=O)O)c2cc(F)ccc21.Cn1nc(Cc2cnccc2C(=O)O)c2ccccc21.Cn1nc2ccccc2c1Cc1cnccc1C(=O)O.O=C(O)c1ccncc1Cc1noc2ccccc12.
What is the InChIKey of 3-(1,2-benzoxazol-3-ylmethyl)pyridine-4-carboxylic acid;3-[(5-chloro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;bis(3-[(1,6-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid);3-[(5-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;methane;3-[(6-methoxy-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(2-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid?
The InChIKey is IJAJQACUSLKVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2.C16H15N3O3.2C16H15N3O2.C15H12ClN3O2.C15H12FN3O2.2C15H13N3O2.C14H10N2O3.3CH4/c1-2-9-20-16-6-4-3-5-14(16)15(19-20)10-12-11-18-8-7-13(12)17(21)22;1-19-15-8-11(22-2)3-4-13(15)14(18-19)7-10-9-17-6-5-12(10)16(20)21;2*1-10-3-4-13-14(18-19(2)15(13)7-10)8-11-9-17-6-5-12(11)16(20)21;2*1-19-14-3-2-10(16)7-12(14)13(18-19)6-9-8-17-5-4-11(9)15(20)21;1-18-14-5-3-2-4-12(14)13(17-18)8-10-9-16-7-6-11(10)15(19)20;1-18-14(12-4-2-3-5-13(12)17-18)8-10-9-16-7-6-11(10)15(19)20;17-14(18)10-5-6-15-8-9(10)7-12-11-3-1-2-4-13(11)19-16-12;;;/h3-8,11H,2,9-10H2,1H3,(H,21,22);3-6,8-9H,7H2,1-2H3,(H,20,21);2*3-7,9H,8H2,1-2H3,(H,20,21);2*2-5,7-8H,6H2,1H3,(H,20,21);2*2-7,9H,8H2,1H3,(H,19,20);1-6,8H,7H2,(H,17,18);3*1H4.
What are the key properties of 3-(1,2-benzoxazol-3-ylmethyl)pyridine-4-carboxylic acid;3-[(5-chloro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;bis(3-[(1,6-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid);3-[(5-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;methane;3-[(6-methoxy-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(2-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid?
3-(1,2-benzoxazol-3-ylmethyl)pyridine-4-carboxylic acid;3-[(5-chloro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;bis(3-[(1,6-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid);3-[(5-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;methane;3-[(6-methoxy-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(2-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid has a molecular weight of 2579.25 g/mol, XLogP of 24.77, 30 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-benzoxazol-3-ylmethyl)pyridine-4-carboxylic acid;3-[(5-chloro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;bis(3-[(1,6-dimethylindazol-3-yl)methyl]pyridine-4-carboxylic acid);3-[(5-fluoro-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;methane;3-[(6-methoxy-1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(2-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 158713567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).