2,3-dihydroxybutanedioic acid;1-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-4-fluoro-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(6-oxa-2-azaspiro[3.4]octan-2-yl)ethanone

C33H36F2N6O9 — CID 175090149

About 2,3-dihydroxybutanedioic acid;1-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-4-fluoro-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(6-oxa-2-azaspiro[3.4]octan-2-yl)ethanone

2,3-dihydroxybutanedioic acid;1-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-4-fluoro-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(6-oxa-2-azaspiro[3.4]octan-2-yl)ethanone (PubChem CID 175090149) has the molecular formula C33H36F2N6O9 and a molecular weight of 698.68 g/mol. Its IUPAC name is 2,3-dihydroxybutanedioic acid;1-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-4-fluoro-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(6-oxa-2-azaspiro[3.4]octan-2-yl)ethanone.

Molecular Properties

• Compound Name: 2,3-dihydroxybutanedioic acid;1-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-4-fluoro-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(6-oxa-2-azaspiro[3.4]octan-2-yl)ethanone
• PubChem CID: 175090149
• Molecular Formula: C33H36F2N6O9
• Molecular Weight: 698.68 g/mol
• Exact Mass: 698.25
• IUPAC Name: 2,3-dihydroxybutanedioic acid;1-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-4-fluoro-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(6-oxa-2-azaspiro[3.4]octan-2-yl)ethanone
• SMILES: CCc1cc(O)c(F)cc1-c1cc(F)c2c(-c3nc4c([nH]3)CN(C(=O)CN3CC5(CCOC5)C3)CC4)n[nH]c2c1.O=C(O)C(O)C(O)C(=O)O
• InChI: InChI=1S/C29H30F2N6O3.C4H6O6/c1-2-16-9-24(38)19(30)10-18(16)17-7-20(31)26-22(8-17)34-35-27(26)28-32-21-3-5-37(11-23(21)33-28)25(39)12-36-13-29(14-36)4-6-40-15-29;5-1(3(7)8)2(6)4(9)10/h7-10,38H,2-6,11-15H2,1H3,(H,32,33)(H,34,35);1-2,5-6H,(H,7,8)(H,9,10)
• InChIKey: UENHNOKNHANFAB-UHFFFAOYSA-N
• XLogP: 1.65
• TPSA: 225.43 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	698.68
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybutanedioic acid;1-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-4-fluoro-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(6-oxa-2-azaspiro[3.4]octan-2-yl)ethanone?

The IUPAC name of 2,3-dihydroxybutanedioic acid;1-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-4-fluoro-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(6-oxa-2-azaspiro[3.4]octan-2-yl)ethanone (CID 175090149) is 2,3-dihydroxybutanedioic acid;1-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-4-fluoro-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(6-oxa-2-azaspiro[3.4]octan-2-yl)ethanone.

What is the SMILES notation for 2,3-dihydroxybutanedioic acid;1-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-4-fluoro-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(6-oxa-2-azaspiro[3.4]octan-2-yl)ethanone?

The canonical SMILES for 2,3-dihydroxybutanedioic acid;1-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-4-fluoro-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(6-oxa-2-azaspiro[3.4]octan-2-yl)ethanone is CCc1cc(O)c(F)cc1-c1cc(F)c2c(-c3nc4c([nH]3)CN(C(=O)CN3CC5(CCOC5)C3)CC4)n[nH]c2c1.O=C(O)C(O)C(O)C(=O)O.

What is the InChIKey of 2,3-dihydroxybutanedioic acid;1-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-4-fluoro-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(6-oxa-2-azaspiro[3.4]octan-2-yl)ethanone?

The InChIKey is UENHNOKNHANFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F2N6O3.C4H6O6/c1-2-16-9-24(38)19(30)10-18(16)17-7-20(31)26-22(8-17)34-35-27(26)28-32-21-3-5-37(11-23(21)33-28)25(39)12-36-13-29(14-36)4-6-40-15-29;5-1(3(7)8)2(6)4(9)10/h7-10,38H,2-6,11-15H2,1H3,(H,32,33)(H,34,35);1-2,5-6H,(H,7,8)(H,9,10).

What are the key properties of 2,3-dihydroxybutanedioic acid;1-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-4-fluoro-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(6-oxa-2-azaspiro[3.4]octan-2-yl)ethanone?

2,3-dihydroxybutanedioic acid;1-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-4-fluoro-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(6-oxa-2-azaspiro[3.4]octan-2-yl)ethanone has a molecular weight of 698.68 g/mol, XLogP of 1.65, 8 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dihydroxybutanedioic acid;1-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-4-fluoro-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(6-oxa-2-azaspiro[3.4]octan-2-yl)ethanone is sourced from PubChem (CID 175090149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).