2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3-pyrrolidin-3-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

C26H27FN6O3 — CID 137302054

IUPAC2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3-pyrrolidin-3-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c(n3C3CCNC3)CNC(C(=O)O)C4)n[nH]c2c1
InChIInChI=1S/C26H27FN6O3/c1-2-13-8-23(34)18(27)9-17(13)14-3-4-16-19(7-14)31-32-24(16)25-30-20-10-21(26(35)36)29-12-22(20)33(25)15-5-6-28-11-15/h3-4,7-9,15,21,28-29,34H,2,5-6,10-12H2,1H3,(H,31,32)(H,35,36)
InChIKeyBDIXCWMSJJOIHJ-UHFFFAOYSA-N
MW490.54 g/mol
LogP3.13
Rot. Bonds5

About 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3-pyrrolidin-3-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3-pyrrolidin-3-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 137302054) has the molecular formula C26H27FN6O3 and a molecular weight of 490.54 g/mol. Its IUPAC name is 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3-pyrrolidin-3-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3-pyrrolidin-3-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID137302054
Molecular FormulaC26H27FN6O3
Molecular Weight490.54 g/mol
Exact Mass490.21
IUPAC Name2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3-pyrrolidin-3-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c(n3C3CCNC3)CNC(C(=O)O)C4)n[nH]c2c1
InChIInChI=1S/C26H27FN6O3/c1-2-13-8-23(34)18(27)9-17(13)14-3-4-16-19(7-14)31-32-24(16)25-30-20-10-21(26(35)36)29-12-22(20)33(25)15-5-6-28-11-15/h3-4,7-9,15,21,28-29,34H,2,5-6,10-12H2,1H3,(H,31,32)(H,35,36)
InChIKeyBDIXCWMSJJOIHJ-UHFFFAOYSA-N
XLogP3.13
TPSA128.09 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.54
LogP ≤ 53.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3-pyrrolidin-3-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid with MolForge

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Related Compounds

CID 136263939
CID 136263939
CID 137656346
CID 137656346
CID 146421275
CID 146421275
CID 137223928
CID 137223928
CID 137634328
CID 137634328
CID 137226770
CID 137226770
CID 137302010
CID 137302010
CID 137302016
CID 137302016
CID 137302020
CID 137302020
CID 137302021
CID 137302021
CID 137302030
CID 137302030
CID 146421288
CID 146421288

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3-pyrrolidin-3-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3-pyrrolidin-3-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 137302054) is 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3-pyrrolidin-3-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3-pyrrolidin-3-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3-pyrrolidin-3-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c(n3C3CCNC3)CNC(C(=O)O)C4)n[nH]c2c1.
What is the InChIKey of 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3-pyrrolidin-3-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is BDIXCWMSJJOIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6O3/c1-2-13-8-23(34)18(27)9-17(13)14-3-4-16-19(7-14)31-32-24(16)25-30-20-10-21(26(35)36)29-12-22(20)33(25)15-5-6-28-11-15/h3-4,7-9,15,21,28-29,34H,2,5-6,10-12H2,1H3,(H,31,32)(H,35,36).
What are the key properties of 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3-pyrrolidin-3-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3-pyrrolidin-3-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 490.54 g/mol, XLogP of 3.13, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3-pyrrolidin-3-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 137302054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).