N-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]pyrrolidine-1-carboxamide

C24H25FN6O2 — CID 156572644

IUPACN-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]pyrrolidine-1-carboxamide
SMILESCCc1cc(O)c(F)cc1-c1ccc2c(-c3ncc(CNC(=O)N4CCCC4)[nH]3)n[nH]c2c1
InChIInChI=1S/C24H25FN6O2/c1-2-14-10-21(32)19(25)11-18(14)15-5-6-17-20(9-15)29-30-22(17)23-26-12-16(28-23)13-27-24(33)31-7-3-4-8-31/h5-6,9-12,32H,2-4,7-8,13H2,1H3,(H,26,28)(H,27,33)(H,29,30)
InChIKeyZSTAJTRRCFQJGV-UHFFFAOYSA-N
MW448.50 g/mol
LogP4.33
Rot. Bonds5

About N-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]pyrrolidine-1-carboxamide

N-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]pyrrolidine-1-carboxamide (PubChem CID 156572644) has the molecular formula C24H25FN6O2 and a molecular weight of 448.50 g/mol. Its IUPAC name is N-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]pyrrolidine-1-carboxamide
PubChem CID156572644
Molecular FormulaC24H25FN6O2
Molecular Weight448.50 g/mol
Exact Mass448.20
IUPAC NameN-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]pyrrolidine-1-carboxamide
SMILESCCc1cc(O)c(F)cc1-c1ccc2c(-c3ncc(CNC(=O)N4CCCC4)[nH]3)n[nH]c2c1
InChIInChI=1S/C24H25FN6O2/c1-2-14-10-21(32)19(25)11-18(14)15-5-6-17-20(9-15)29-30-22(17)23-26-12-16(28-23)13-27-24(33)31-7-3-4-8-31/h5-6,9-12,32H,2-4,7-8,13H2,1H3,(H,26,28)(H,27,33)(H,29,30)
InChIKeyZSTAJTRRCFQJGV-UHFFFAOYSA-N
XLogP4.33
TPSA109.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]pyrrolidine-1-carboxamide (CID 156572644) is N-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]pyrrolidine-1-carboxamide is CCc1cc(O)c(F)cc1-c1ccc2c(-c3ncc(CNC(=O)N4CCCC4)[nH]3)n[nH]c2c1.
What is the InChIKey of N-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is ZSTAJTRRCFQJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O2/c1-2-14-10-21(32)19(25)11-18(14)15-5-6-17-20(9-15)29-30-22(17)23-26-12-16(28-23)13-27-24(33)31-7-3-4-8-31/h5-6,9-12,32H,2-4,7-8,13H2,1H3,(H,26,28)(H,27,33)(H,29,30).
What are the key properties of N-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]pyrrolidine-1-carboxamide?
N-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 448.50 g/mol, XLogP of 4.33, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 156572644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).