3-[2-[[5-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazin-2-yl]-methylamino]ethyl]-1,3-oxazolidin-2-one

C32H32FN9O4 — CID 137239862

IUPAC3-[2-[[5-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazin-2-yl]-methylamino]ethyl]-1,3-oxazolidin-2-one
SMILESCCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CN(C(=O)c3cnc(N(C)CCN5CCOC5=O)cn3)CC4)n[nH]c2c1
InChIInChI=1S/C32H32FN9O4/c1-3-18-13-27(43)22(33)14-21(18)19-4-5-20-24(12-19)38-39-29(20)30-36-23-6-7-42(17-26(23)37-30)31(44)25-15-35-28(16-34-25)40(2)8-9-41-10-11-46-32(41)45/h4-5,12-16,43H,3,6-11,17H2,1-2H3,(H,36,37)(H,38,39)
InChIKeyDBFXWKDDBZNFNM-UHFFFAOYSA-N
MW625.67 g/mol
LogP3.90
Rot. Bonds8

About 3-[2-[[5-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazin-2-yl]-methylamino]ethyl]-1,3-oxazolidin-2-one

3-[2-[[5-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazin-2-yl]-methylamino]ethyl]-1,3-oxazolidin-2-one (PubChem CID 137239862) has the molecular formula C32H32FN9O4 and a molecular weight of 625.67 g/mol. Its IUPAC name is 3-[2-[[5-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazin-2-yl]-methylamino]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[[5-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazin-2-yl]-methylamino]ethyl]-1,3-oxazolidin-2-one
PubChem CID137239862
Molecular FormulaC32H32FN9O4
Molecular Weight625.67 g/mol
Exact Mass625.26
IUPAC Name3-[2-[[5-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazin-2-yl]-methylamino]ethyl]-1,3-oxazolidin-2-one
SMILESCCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CN(C(=O)c3cnc(N(C)CCN5CCOC5=O)cn3)CC4)n[nH]c2c1
InChIInChI=1S/C32H32FN9O4/c1-3-18-13-27(43)22(33)14-21(18)19-4-5-20-24(12-19)38-39-29(20)30-36-23-6-7-42(17-26(23)37-30)31(44)25-15-35-28(16-34-25)40(2)8-9-41-10-11-46-32(41)45/h4-5,12-16,43H,3,6-11,17H2,1-2H3,(H,36,37)(H,38,39)
InChIKeyDBFXWKDDBZNFNM-UHFFFAOYSA-N
XLogP3.90
TPSA156.46 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500625.67
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-[2-[[5-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazin-2-yl]-methylamino]ethyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[5-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazin-2-yl]-methylamino]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[[5-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazin-2-yl]-methylamino]ethyl]-1,3-oxazolidin-2-one (CID 137239862) is 3-[2-[[5-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazin-2-yl]-methylamino]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[[5-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazin-2-yl]-methylamino]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[[5-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazin-2-yl]-methylamino]ethyl]-1,3-oxazolidin-2-one is CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CN(C(=O)c3cnc(N(C)CCN5CCOC5=O)cn3)CC4)n[nH]c2c1.
What is the InChIKey of 3-[2-[[5-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazin-2-yl]-methylamino]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is DBFXWKDDBZNFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32FN9O4/c1-3-18-13-27(43)22(33)14-21(18)19-4-5-20-24(12-19)38-39-29(20)30-36-23-6-7-42(17-26(23)37-30)31(44)25-15-35-28(16-34-25)40(2)8-9-41-10-11-46-32(41)45/h4-5,12-16,43H,3,6-11,17H2,1-2H3,(H,36,37)(H,38,39).
What are the key properties of 3-[2-[[5-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazin-2-yl]-methylamino]ethyl]-1,3-oxazolidin-2-one?
3-[2-[[5-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazin-2-yl]-methylamino]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 625.67 g/mol, XLogP of 3.90, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[5-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyrazin-2-yl]-methylamino]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 137239862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).