2-[6-fluoro-1-[(3R,5R)-5-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indazol-3-yl]acetic acid

C23H26FN3O5S — CID 90273975

IUPAC2-[6-fluoro-1-[(3R,5R)-5-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indazol-3-yl]acetic acid
SMILESCC(C)Oc1ccc(S(=O)(=O)N2C[C@H](n3nc(CC(=O)O)c4ccc(F)cc43)C[C@H]2C)cc1
InChIInChI=1S/C23H26FN3O5S/c1-14(2)32-18-5-7-19(8-6-18)33(30,31)26-13-17(10-15(26)3)27-22-11-16(24)4-9-20(22)21(25-27)12-23(28)29/h4-9,11,14-15,17H,10,12-13H2,1-3H3,(H,28,29)/t15-,17-/m1/s1
InChIKeyAPXJUHKUJIXCRS-NVXWUHKLSA-N
MW475.54 g/mol
LogP3.61
Rot. Bonds7

About 2-[6-fluoro-1-[(3R,5R)-5-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indazol-3-yl]acetic acid

2-[6-fluoro-1-[(3R,5R)-5-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indazol-3-yl]acetic acid (PubChem CID 90273975) has the molecular formula C23H26FN3O5S and a molecular weight of 475.54 g/mol. Its IUPAC name is 2-[6-fluoro-1-[(3R,5R)-5-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-fluoro-1-[(3R,5R)-5-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indazol-3-yl]acetic acid
PubChem CID90273975
Molecular FormulaC23H26FN3O5S
Molecular Weight475.54 g/mol
Exact Mass475.16
IUPAC Name2-[6-fluoro-1-[(3R,5R)-5-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indazol-3-yl]acetic acid
SMILESCC(C)Oc1ccc(S(=O)(=O)N2C[C@H](n3nc(CC(=O)O)c4ccc(F)cc43)C[C@H]2C)cc1
InChIInChI=1S/C23H26FN3O5S/c1-14(2)32-18-5-7-19(8-6-18)33(30,31)26-13-17(10-15(26)3)27-22-11-16(24)4-9-20(22)21(25-27)12-23(28)29/h4-9,11,14-15,17H,10,12-13H2,1-3H3,(H,28,29)/t15-,17-/m1/s1
InChIKeyAPXJUHKUJIXCRS-NVXWUHKLSA-N
XLogP3.61
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.54
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[6-fluoro-1-[(3R,5R)-5-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indazol-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-1-[(3R,5R)-5-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indazol-3-yl]acetic acid?
The IUPAC name of 2-[6-fluoro-1-[(3R,5R)-5-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indazol-3-yl]acetic acid (CID 90273975) is 2-[6-fluoro-1-[(3R,5R)-5-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indazol-3-yl]acetic acid.
What is the SMILES notation for 2-[6-fluoro-1-[(3R,5R)-5-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indazol-3-yl]acetic acid?
The canonical SMILES for 2-[6-fluoro-1-[(3R,5R)-5-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indazol-3-yl]acetic acid is CC(C)Oc1ccc(S(=O)(=O)N2C[C@H](n3nc(CC(=O)O)c4ccc(F)cc43)C[C@H]2C)cc1.
What is the InChIKey of 2-[6-fluoro-1-[(3R,5R)-5-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indazol-3-yl]acetic acid?
The InChIKey is APXJUHKUJIXCRS-NVXWUHKLSA-N. The full InChI is InChI=1S/C23H26FN3O5S/c1-14(2)32-18-5-7-19(8-6-18)33(30,31)26-13-17(10-15(26)3)27-22-11-16(24)4-9-20(22)21(25-27)12-23(28)29/h4-9,11,14-15,17H,10,12-13H2,1-3H3,(H,28,29)/t15-,17-/m1/s1.
What are the key properties of 2-[6-fluoro-1-[(3R,5R)-5-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indazol-3-yl]acetic acid?
2-[6-fluoro-1-[(3R,5R)-5-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indazol-3-yl]acetic acid has a molecular weight of 475.54 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-1-[(3R,5R)-5-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indazol-3-yl]acetic acid is sourced from PubChem (CID 90273975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).