2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1-methylindazol-3-yl]-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-methylindazol-3-yl]-trimethylstannane;methane;bis(methyl 2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-methylindazol-3-yl]-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate);methyl 2-iodo-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate

C136H165F5IN25O12Sn — CID 158448394

About 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1-methylindazol-3-yl]-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-methylindazol-3-yl]-trimethylstannane;methane;bis(methyl 2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-methylindazol-3-yl]-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate);methyl 2-iodo-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate

2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1-methylindazol-3-yl]-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-methylindazol-3-yl]-trimethylstannane;methane;bis(methyl 2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-methylindazol-3-yl]-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate);methyl 2-iodo-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate (PubChem CID 158448394) has the molecular formula C136H165F5IN25O12Sn and a molecular weight of 2682.58 g/mol. Its IUPAC name is 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1-methylindazol-3-yl]-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-methylindazol-3-yl]-trimethylstannane;methane;bis(methyl 2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-methylindazol-3-yl]-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate);methyl 2-iodo-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

• Compound Name: 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1-methylindazol-3-yl]-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-methylindazol-3-yl]-trimethylstannane;methane;bis(methyl 2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-methylindazol-3-yl]-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate);methyl 2-iodo-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
• PubChem CID: 158448394
• Molecular Formula: C136H165F5IN25O12Sn
• Molecular Weight: 2682.58 g/mol
• Exact Mass: 2682.11
• IUPAC Name: 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1-methylindazol-3-yl]-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-methylindazol-3-yl]-trimethylstannane;methane;bis(methyl 2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-methylindazol-3-yl]-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate);methyl 2-iodo-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
• SMILES: C.C.C.C.C.CCc1cc(C)c(F)cc1-c1ccc2c(-c3nc4c(n3C)CN(C)C(C(=O)OC)C4)nn(C)c2c1.CCc1cc(C)c(F)cc1-c1ccc2c(-c3nc4c(n3C)CN(C)C(C(=O)OC)C4)nn(C)c2c1.CCc1cc(C)c(F)cc1-c1ccc2c([Sn](C)(C)C)nn(C)c2c1.CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CNC(C(=O)O)C4)n[nH]c2c1.CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c(n3C)CN(C)C(C(=O)O)C4)nn(C)c2c1.COC(=O)C1Cc2nc(I)n(C)c2CN1C
• InChI: InChI=1S/2C27H30FN5O2.C25H26FN5O3.C22H20FN5O3.C17H16FN2.C10H14IN3O2.5CH4.3CH3.Sn/c2*1-7-16-10-15(2)20(28)12-19(16)17-8-9-18-22(11-17)33(5)30-25(18)26-29-21-13-23(27(34)35-6)31(3)14-24(21)32(26)4;1-5-13-9-22(32)17(26)10-16(13)14-6-7-15-19(8-14)31(4)28-23(15)24-27-18-11-20(25(33)34)29(2)12-21(18)30(24)3;1-2-10-6-19(29)14(23)7-13(10)11-3-4-12-15(5-11)27-28-20(12)21-25-16-8-17(22(30)31)24-9-18(16)26-21;1-4-12-7-11(2)16(18)9-15(12)13-5-6-14-10-19-20(3)17(14)8-13;1-13-5-8-6(12-10(11)14(8)2)4-7(13)9(15)16-3;;;;;;;;;/h2*8-12,23H,7,13-14H2,1-6H3;6-10,20,32H,5,11-12H2,1-4H3,(H,33,34);3-7,17,24,29H,2,8-9H2,1H3,(H,25,26)(H,27,28)(H,30,31);5-9H,4H2,1-3H3;7H,4-5H2,1-3H3;5*1H4;3*1H3
• InChIKey: HDRFQWODNJNCHE-UHFFFAOYSA-N
• XLogP: 23.51
• TPSA: 418.87 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 20
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2682.58
LogP ≤ 5	23.51
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1-methylindazol-3-yl]-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-methylindazol-3-yl]-trimethylstannane;methane;bis(methyl 2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-methylindazol-3-yl]-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate);methyl 2-iodo-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?

The IUPAC name of 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1-methylindazol-3-yl]-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-methylindazol-3-yl]-trimethylstannane;methane;bis(methyl 2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-methylindazol-3-yl]-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate);methyl 2-iodo-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate (CID 158448394) is 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1-methylindazol-3-yl]-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-methylindazol-3-yl]-trimethylstannane;methane;bis(methyl 2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-methylindazol-3-yl]-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate);methyl 2-iodo-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate.

What is the SMILES notation for 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1-methylindazol-3-yl]-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-methylindazol-3-yl]-trimethylstannane;methane;bis(methyl 2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-methylindazol-3-yl]-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate);methyl 2-iodo-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?

The canonical SMILES for 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1-methylindazol-3-yl]-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-methylindazol-3-yl]-trimethylstannane;methane;bis(methyl 2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-methylindazol-3-yl]-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate);methyl 2-iodo-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate is C.C.C.C.C.CCc1cc(C)c(F)cc1-c1ccc2c(-c3nc4c(n3C)CN(C)C(C(=O)OC)C4)nn(C)c2c1.CCc1cc(C)c(F)cc1-c1ccc2c(-c3nc4c(n3C)CN(C)C(C(=O)OC)C4)nn(C)c2c1.CCc1cc(C)c(F)cc1-c1ccc2c([Sn](C)(C)C)nn(C)c2c1.CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CNC(C(=O)O)C4)n[nH]c2c1.CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c(n3C)CN(C)C(C(=O)O)C4)nn(C)c2c1.COC(=O)C1Cc2nc(I)n(C)c2CN1C.

What is the InChIKey of 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1-methylindazol-3-yl]-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-methylindazol-3-yl]-trimethylstannane;methane;bis(methyl 2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-methylindazol-3-yl]-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate);methyl 2-iodo-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?

The InChIKey is HDRFQWODNJNCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H30FN5O2.C25H26FN5O3.C22H20FN5O3.C17H16FN2.C10H14IN3O2.5CH4.3CH3.Sn/c2*1-7-16-10-15(2)20(28)12-19(16)17-8-9-18-22(11-17)33(5)30-25(18)26-29-21-13-23(27(34)35-6)31(3)14-24(21)32(26)4;1-5-13-9-22(32)17(26)10-16(13)14-6-7-15-19(8-14)31(4)28-23(15)24-27-18-11-20(25(33)34)29(2)12-21(18)30(24)3;1-2-10-6-19(29)14(23)7-13(10)11-3-4-12-15(5-11)27-28-20(12)21-25-16-8-17(22(30)31)24-9-18(16)26-21;1-4-12-7-11(2)16(18)9-15(12)13-5-6-14-10-19-20(3)17(14)8-13;1-13-5-8-6(12-10(11)14(8)2)4-7(13)9(15)16-3;;;;;;;;;/h2*8-12,23H,7,13-14H2,1-6H3;6-10,20,32H,5,11-12H2,1-4H3,(H,33,34);3-7,17,24,29H,2,8-9H2,1H3,(H,25,26)(H,27,28)(H,30,31);5-9H,4H2,1-3H3;7H,4-5H2,1-3H3;5*1H4;3*1H3;.

What are the key properties of 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1-methylindazol-3-yl]-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-methylindazol-3-yl]-trimethylstannane;methane;bis(methyl 2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-methylindazol-3-yl]-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate);methyl 2-iodo-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?

2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1-methylindazol-3-yl]-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-methylindazol-3-yl]-trimethylstannane;methane;bis(methyl 2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-methylindazol-3-yl]-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate);methyl 2-iodo-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate has a molecular weight of 2682.58 g/mol, XLogP of 23.51, 20 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1-methylindazol-3-yl]-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid;[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-methylindazol-3-yl]-trimethylstannane;methane;bis(methyl 2-[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-methylindazol-3-yl]-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate);methyl 2-iodo-3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 158448394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).