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

C25H27FN6O2 — CID 156572686

IUPACN-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]-1-methylpyrrolidine-3-carboxamide
SMILESCCc1cc(O)c(F)cc1-c1ccc2c(-c3ncc(CNC(=O)C4CCN(C)C4)[nH]3)n[nH]c2c1
InChIInChI=1S/C25H27FN6O2/c1-3-14-9-22(33)20(26)10-19(14)15-4-5-18-21(8-15)30-31-23(18)24-27-11-17(29-24)12-28-25(34)16-6-7-32(2)13-16/h4-5,8-11,16,33H,3,6-7,12-13H2,1-2H3,(H,27,29)(H,28,34)(H,30,31)
InChIKeySBDVFTSMSKLJGI-UHFFFAOYSA-N
MW462.53 g/mol
LogP3.60
Rot. Bonds6

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

N-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]-1-methylpyrrolidine-3-carboxamide (PubChem CID 156572686) has the molecular formula C25H27FN6O2 and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]-1-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]-1-methylpyrrolidine-3-carboxamide
PubChem CID156572686
Molecular FormulaC25H27FN6O2
Molecular Weight462.53 g/mol
Exact Mass462.22
IUPAC NameN-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]-1-methylpyrrolidine-3-carboxamide
SMILESCCc1cc(O)c(F)cc1-c1ccc2c(-c3ncc(CNC(=O)C4CCN(C)C4)[nH]3)n[nH]c2c1
InChIInChI=1S/C25H27FN6O2/c1-3-14-9-22(33)20(26)10-19(14)15-4-5-18-21(8-15)30-31-23(18)24-27-11-17(29-24)12-28-25(34)16-6-7-32(2)13-16/h4-5,8-11,16,33H,3,6-7,12-13H2,1-2H3,(H,27,29)(H,28,34)(H,30,31)
InChIKeySBDVFTSMSKLJGI-UHFFFAOYSA-N
XLogP3.60
TPSA109.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]-1-methylpyrrolidine-3-carboxamide 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 N-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]-1-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]-1-methylpyrrolidine-3-carboxamide (CID 156572686) is N-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]-1-methylpyrrolidine-3-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]-1-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]-1-methylpyrrolidine-3-carboxamide is CCc1cc(O)c(F)cc1-c1ccc2c(-c3ncc(CNC(=O)C4CCN(C)C4)[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]-1-methylpyrrolidine-3-carboxamide?
The InChIKey is SBDVFTSMSKLJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O2/c1-3-14-9-22(33)20(26)10-19(14)15-4-5-18-21(8-15)30-31-23(18)24-27-11-17(29-24)12-28-25(34)16-6-7-32(2)13-16/h4-5,8-11,16,33H,3,6-7,12-13H2,1-2H3,(H,27,29)(H,28,34)(H,30,31).
What are the key properties of N-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]-1-methylpyrrolidine-3-carboxamide?
N-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]methyl]-1-methylpyrrolidine-3-carboxamide has a molecular weight of 462.53 g/mol, XLogP of 3.60, 6 rotatable bonds, 4 hydrogen bond donors, and 5 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]-1-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 156572686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).