[(3R)-pyrrolidin-3-yl] 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate

C26H27FN6O3 — CID 137302035

IUPAC[(3R)-pyrrolidin-3-yl] 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate
SMILESCCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CNC(C(=O)O[C@@H]3CCNC3)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)32-33-24(16)25-30-20-10-21(29-12-22(20)31-25)26(35)36-15-5-6-28-11-15/h3-4,7-9,15,21,28-29,34H,2,5-6,10-12H2,1H3,(H,30,31)(H,32,33)/t15-,21?/m1/s1
InChIKeyIALXAEPAXOHXOO-RBFZIWAESA-N
MW490.54 g/mol
LogP2.95
Rot. Bonds5

About [(3R)-pyrrolidin-3-yl] 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate

[(3R)-pyrrolidin-3-yl] 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate (PubChem CID 137302035) has the molecular formula C26H27FN6O3 and a molecular weight of 490.54 g/mol. Its IUPAC name is [(3R)-pyrrolidin-3-yl] 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

Compound Name[(3R)-pyrrolidin-3-yl] 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate
PubChem CID137302035
Molecular FormulaC26H27FN6O3
Molecular Weight490.54 g/mol
Exact Mass490.21
IUPAC Name[(3R)-pyrrolidin-3-yl] 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate
SMILESCCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CNC(C(=O)O[C@@H]3CCNC3)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)32-33-24(16)25-30-20-10-21(29-12-22(20)31-25)26(35)36-15-5-6-28-11-15/h3-4,7-9,15,21,28-29,34H,2,5-6,10-12H2,1H3,(H,30,31)(H,32,33)/t15-,21?/m1/s1
InChIKeyIALXAEPAXOHXOO-RBFZIWAESA-N
XLogP2.95
TPSA127.95 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 ≤ 52.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze [(3R)-pyrrolidin-3-yl] 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3R)-pyrrolidin-3-yl] 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate?
The IUPAC name of [(3R)-pyrrolidin-3-yl] 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate (CID 137302035) is [(3R)-pyrrolidin-3-yl] 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate.
What is the SMILES notation for [(3R)-pyrrolidin-3-yl] 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate?
The canonical SMILES for [(3R)-pyrrolidin-3-yl] 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate is CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CNC(C(=O)O[C@@H]3CCNC3)C4)n[nH]c2c1.
What is the InChIKey of [(3R)-pyrrolidin-3-yl] 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate?
The InChIKey is IALXAEPAXOHXOO-RBFZIWAESA-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)32-33-24(16)25-30-20-10-21(29-12-22(20)31-25)26(35)36-15-5-6-28-11-15/h3-4,7-9,15,21,28-29,34H,2,5-6,10-12H2,1H3,(H,30,31)(H,32,33)/t15-,21?/m1/s1.
What are the key properties of [(3R)-pyrrolidin-3-yl] 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate?
[(3R)-pyrrolidin-3-yl] 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate has a molecular weight of 490.54 g/mol, XLogP of 2.95, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-pyrrolidin-3-yl] 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 137302035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).