4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-N-(2-methoxyethyl)-1,5-dimethylpyrazole-3-carboxamide

C26H31FN6O3 — CID 137365946

IUPAC4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-N-(2-methoxyethyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCOCCNC(=O)c1nn(C)c(C)c1CCOc1cc(F)ccc1-c1ccc2ncc(CCN)n2c1
InChIInChI=1S/C26H31FN6O3/c1-17-21(25(31-32(17)2)26(34)29-11-13-35-3)9-12-36-23-14-19(27)5-6-22(23)18-4-7-24-30-15-20(8-10-28)33(24)16-18/h4-7,14-16H,8-13,28H2,1-3H3,(H,29,34)
InChIKeyACGDSEPKGFLNER-UHFFFAOYSA-N
MW494.57 g/mol
LogP2.68
Rot. Bonds11

About 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-N-(2-methoxyethyl)-1,5-dimethylpyrazole-3-carboxamide

4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-N-(2-methoxyethyl)-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 137365946) has the molecular formula C26H31FN6O3 and a molecular weight of 494.57 g/mol. Its IUPAC name is 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-N-(2-methoxyethyl)-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-N-(2-methoxyethyl)-1,5-dimethylpyrazole-3-carboxamide
PubChem CID137365946
Molecular FormulaC26H31FN6O3
Molecular Weight494.57 g/mol
Exact Mass494.24
IUPAC Name4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-N-(2-methoxyethyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCOCCNC(=O)c1nn(C)c(C)c1CCOc1cc(F)ccc1-c1ccc2ncc(CCN)n2c1
InChIInChI=1S/C26H31FN6O3/c1-17-21(25(31-32(17)2)26(34)29-11-13-35-3)9-12-36-23-14-19(27)5-6-22(23)18-4-7-24-30-15-20(8-10-28)33(24)16-18/h4-7,14-16H,8-13,28H2,1-3H3,(H,29,34)
InChIKeyACGDSEPKGFLNER-UHFFFAOYSA-N
XLogP2.68
TPSA108.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-N-(2-methoxyethyl)-1,5-dimethylpyrazole-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 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-N-(2-methoxyethyl)-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-N-(2-methoxyethyl)-1,5-dimethylpyrazole-3-carboxamide (CID 137365946) is 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-N-(2-methoxyethyl)-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-N-(2-methoxyethyl)-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-N-(2-methoxyethyl)-1,5-dimethylpyrazole-3-carboxamide is COCCNC(=O)c1nn(C)c(C)c1CCOc1cc(F)ccc1-c1ccc2ncc(CCN)n2c1.
What is the InChIKey of 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-N-(2-methoxyethyl)-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is ACGDSEPKGFLNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN6O3/c1-17-21(25(31-32(17)2)26(34)29-11-13-35-3)9-12-36-23-14-19(27)5-6-22(23)18-4-7-24-30-15-20(8-10-28)33(24)16-18/h4-7,14-16H,8-13,28H2,1-3H3,(H,29,34).
What are the key properties of 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-N-(2-methoxyethyl)-1,5-dimethylpyrazole-3-carboxamide?
4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-N-(2-methoxyethyl)-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 494.57 g/mol, XLogP of 2.68, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-N-(2-methoxyethyl)-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 137365946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).