5-chloropyrazine-2-carboxylic acid;(5-chloropyrazin-2-yl)-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;5-ethyl-2-fluoro-4-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol

C52H44Cl2F2N14O5 — CID 158179729

About 5-chloropyrazine-2-carboxylic acid;(5-chloropyrazin-2-yl)-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;5-ethyl-2-fluoro-4-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol

5-chloropyrazine-2-carboxylic acid;(5-chloropyrazin-2-yl)-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;5-ethyl-2-fluoro-4-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol (PubChem CID 158179729) has the molecular formula C52H44Cl2F2N14O5 and a molecular weight of 1053.92 g/mol. Its IUPAC name is 5-chloropyrazine-2-carboxylic acid;(5-chloropyrazin-2-yl)-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;5-ethyl-2-fluoro-4-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol.

Molecular Properties

• Compound Name: 5-chloropyrazine-2-carboxylic acid;(5-chloropyrazin-2-yl)-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;5-ethyl-2-fluoro-4-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol
• PubChem CID: 158179729
• Molecular Formula: C52H44Cl2F2N14O5
• Molecular Weight: 1053.92 g/mol
• Exact Mass: 1052.30
• IUPAC Name: 5-chloropyrazine-2-carboxylic acid;(5-chloropyrazin-2-yl)-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;5-ethyl-2-fluoro-4-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol
• SMILES: CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CN(C(=O)c3cnc(Cl)cn3)CC4)n[nH]c2c1.CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CNCC4)n[nH]c2c1.O=C(O)c1cnc(Cl)cn1
• InChI: InChI=1S/C26H21ClFN7O2.C21H20FN5O.C5H3ClN2O2/c1-2-13-8-22(36)17(28)9-16(13)14-3-4-15-19(7-14)33-34-24(15)25-31-18-5-6-35(12-21(18)32-25)26(37)20-10-30-23(27)11-29-20;1-2-11-8-19(28)15(22)9-14(11)12-3-4-13-17(7-12)26-27-20(13)21-24-16-5-6-23-10-18(16)25-21;6-4-2-7-3(1-8-4)5(9)10/h3-4,7-11,36H,2,5-6,12H2,1H3,(H,31,32)(H,33,34);3-4,7-9,23,28H,2,5-6,10H2,1H3,(H,24,25)(H,26,27);1-2H,(H,9,10)
• InChIKey: FYLACYMZFAJGSU-UHFFFAOYSA-N
• XLogP: 9.17
• TPSA: 276.38 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1053.92
LogP ≤ 5	9.17
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 5-chloropyrazine-2-carboxylic acid;(5-chloropyrazin-2-yl)-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;5-ethyl-2-fluoro-4-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol?

The IUPAC name of 5-chloropyrazine-2-carboxylic acid;(5-chloropyrazin-2-yl)-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;5-ethyl-2-fluoro-4-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol (CID 158179729) is 5-chloropyrazine-2-carboxylic acid;(5-chloropyrazin-2-yl)-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;5-ethyl-2-fluoro-4-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol.

What is the SMILES notation for 5-chloropyrazine-2-carboxylic acid;(5-chloropyrazin-2-yl)-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;5-ethyl-2-fluoro-4-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol?

The canonical SMILES for 5-chloropyrazine-2-carboxylic acid;(5-chloropyrazin-2-yl)-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;5-ethyl-2-fluoro-4-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol is CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CN(C(=O)c3cnc(Cl)cn3)CC4)n[nH]c2c1.CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CNCC4)n[nH]c2c1.O=C(O)c1cnc(Cl)cn1.

What is the InChIKey of 5-chloropyrazine-2-carboxylic acid;(5-chloropyrazin-2-yl)-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;5-ethyl-2-fluoro-4-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol?

The InChIKey is FYLACYMZFAJGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClFN7O2.C21H20FN5O.C5H3ClN2O2/c1-2-13-8-22(36)17(28)9-16(13)14-3-4-15-19(7-14)33-34-24(15)25-31-18-5-6-35(12-21(18)32-25)26(37)20-10-30-23(27)11-29-20;1-2-11-8-19(28)15(22)9-14(11)12-3-4-13-17(7-12)26-27-20(13)21-24-16-5-6-23-10-18(16)25-21;6-4-2-7-3(1-8-4)5(9)10/h3-4,7-11,36H,2,5-6,12H2,1H3,(H,31,32)(H,33,34);3-4,7-9,23,28H,2,5-6,10H2,1H3,(H,24,25)(H,26,27);1-2H,(H,9,10).

What are the key properties of 5-chloropyrazine-2-carboxylic acid;(5-chloropyrazin-2-yl)-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;5-ethyl-2-fluoro-4-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol?

5-chloropyrazine-2-carboxylic acid;(5-chloropyrazin-2-yl)-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;5-ethyl-2-fluoro-4-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol has a molecular weight of 1053.92 g/mol, XLogP of 9.17, 8 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloropyrazine-2-carboxylic acid;(5-chloropyrazin-2-yl)-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;5-ethyl-2-fluoro-4-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol is sourced from PubChem (CID 158179729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).