N-[1-[[1-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]indazol-6-yl]-2-methoxyacetamide

C23H27FN4O3 — CID 92610922

IUPACN-[1-[[1-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]indazol-6-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc2cnn(CC3(O)CCN(Cc4cccc(F)c4)CC3)c2c1
InChIInChI=1S/C23H27FN4O3/c1-31-15-22(29)26-20-6-5-18-13-25-28(21(18)12-20)16-23(30)7-9-27(10-8-23)14-17-3-2-4-19(24)11-17/h2-6,11-13,30H,7-10,14-16H2,1H3,(H,26,29)
InChIKeyASPOREOJCOVDMO-UHFFFAOYSA-N
MW426.49 g/mol
LogP2.79
Rot. Bonds7

About N-[1-[[1-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]indazol-6-yl]-2-methoxyacetamide

N-[1-[[1-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]indazol-6-yl]-2-methoxyacetamide (PubChem CID 92610922) has the molecular formula C23H27FN4O3 and a molecular weight of 426.49 g/mol. Its IUPAC name is N-[1-[[1-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]indazol-6-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-[[1-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]indazol-6-yl]-2-methoxyacetamide
PubChem CID92610922
Molecular FormulaC23H27FN4O3
Molecular Weight426.49 g/mol
Exact Mass426.21
IUPAC NameN-[1-[[1-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]indazol-6-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc2cnn(CC3(O)CCN(Cc4cccc(F)c4)CC3)c2c1
InChIInChI=1S/C23H27FN4O3/c1-31-15-22(29)26-20-6-5-18-13-25-28(21(18)12-20)16-23(30)7-9-27(10-8-23)14-17-3-2-4-19(24)11-17/h2-6,11-13,30H,7-10,14-16H2,1H3,(H,26,29)
InChIKeyASPOREOJCOVDMO-UHFFFAOYSA-N
XLogP2.79
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[[1-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]indazol-6-yl]-2-methoxyacetamide 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-[1-[[1-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]indazol-6-yl]-2-methoxyacetamide?
The IUPAC name of N-[1-[[1-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]indazol-6-yl]-2-methoxyacetamide (CID 92610922) is N-[1-[[1-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]indazol-6-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-[[1-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]indazol-6-yl]-2-methoxyacetamide?
The canonical SMILES for N-[1-[[1-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]indazol-6-yl]-2-methoxyacetamide is COCC(=O)Nc1ccc2cnn(CC3(O)CCN(Cc4cccc(F)c4)CC3)c2c1.
What is the InChIKey of N-[1-[[1-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]indazol-6-yl]-2-methoxyacetamide?
The InChIKey is ASPOREOJCOVDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3/c1-31-15-22(29)26-20-6-5-18-13-25-28(21(18)12-20)16-23(30)7-9-27(10-8-23)14-17-3-2-4-19(24)11-17/h2-6,11-13,30H,7-10,14-16H2,1H3,(H,26,29).
What are the key properties of N-[1-[[1-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]indazol-6-yl]-2-methoxyacetamide?
N-[1-[[1-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]indazol-6-yl]-2-methoxyacetamide has a molecular weight of 426.49 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]indazol-6-yl]-2-methoxyacetamide is sourced from PubChem (CID 92610922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).