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-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone

C34H38F2N6O9 — CID 175087740

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-(7-oxa-2-azaspiro[3.5]nonan-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-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone (PubChem CID 175087740) has the molecular formula C34H38F2N6O9 and a molecular weight of 712.71 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-(7-oxa-2-azaspiro[3.5]nonan-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-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone
• PubChem CID: 175087740
• Molecular Formula: C34H38F2N6O9
• Molecular Weight: 712.71 g/mol
• Exact Mass: 712.27
• 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-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone
• SMILES: CCc1cc(O)c(F)cc1-c1cc(F)c2c(-c3nc4c([nH]3)CN(C(=O)CN3CC5(CCOCC5)C3)CC4)n[nH]c2c1.O=C(O)C(O)C(O)C(=O)O
• InChI: InChI=1S/C30H32F2N6O3.C4H6O6/c1-2-17-11-25(39)20(31)12-19(17)18-9-21(32)27-23(10-18)35-36-28(27)29-33-22-3-6-38(13-24(22)34-29)26(40)14-37-15-30(16-37)4-7-41-8-5-30;5-1(3(7)8)2(6)4(9)10/h9-12,39H,2-8,13-16H2,1H3,(H,33,34)(H,35,36);1-2,5-6H,(H,7,8)(H,9,10)
• InChIKey: PNEZYDAGUTUSKV-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 225.43 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	712.71
LogP ≤ 5	2.04
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-(7-oxa-2-azaspiro[3.5]nonan-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-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone (CID 175087740) 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-(7-oxa-2-azaspiro[3.5]nonan-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-(7-oxa-2-azaspiro[3.5]nonan-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-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone is CCc1cc(O)c(F)cc1-c1cc(F)c2c(-c3nc4c([nH]3)CN(C(=O)CN3CC5(CCOCC5)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-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone?

The InChIKey is PNEZYDAGUTUSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F2N6O3.C4H6O6/c1-2-17-11-25(39)20(31)12-19(17)18-9-21(32)27-23(10-18)35-36-28(27)29-33-22-3-6-38(13-24(22)34-29)26(40)14-37-15-30(16-37)4-7-41-8-5-30;5-1(3(7)8)2(6)4(9)10/h9-12,39H,2-8,13-16H2,1H3,(H,33,34)(H,35,36);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-(7-oxa-2-azaspiro[3.5]nonan-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-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone has a molecular weight of 712.71 g/mol, XLogP of 2.04, 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-(7-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone is sourced from PubChem (CID 175087740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).