N-[(3-fluoro-4-imidazo[1,2-a]pyridin-5-ylphenyl)methyl]propan-1-amine

C17H18FN3 — CID 102626421

IUPACN-[(3-fluoro-4-imidazo[1,2-a]pyridin-5-ylphenyl)methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cccc3nccn23)c(F)c1
InChIInChI=1S/C17H18FN3/c1-2-8-19-12-13-6-7-14(15(18)11-13)16-4-3-5-17-20-9-10-21(16)17/h3-7,9-11,19H,2,8,12H2,1H3
InChIKeyBFWCMBNZAFQXRH-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.64
Rot. Bonds5

About N-[(3-fluoro-4-imidazo[1,2-a]pyridin-5-ylphenyl)methyl]propan-1-amine

N-[(3-fluoro-4-imidazo[1,2-a]pyridin-5-ylphenyl)methyl]propan-1-amine (PubChem CID 102626421) has the molecular formula C17H18FN3 and a molecular weight of 283.35 g/mol. Its IUPAC name is N-[(3-fluoro-4-imidazo[1,2-a]pyridin-5-ylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-imidazo[1,2-a]pyridin-5-ylphenyl)methyl]propan-1-amine
PubChem CID102626421
Molecular FormulaC17H18FN3
Molecular Weight283.35 g/mol
Exact Mass283.15
IUPAC NameN-[(3-fluoro-4-imidazo[1,2-a]pyridin-5-ylphenyl)methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cccc3nccn23)c(F)c1
InChIInChI=1S/C17H18FN3/c1-2-8-19-12-13-6-7-14(15(18)11-13)16-4-3-5-17-20-9-10-21(16)17/h3-7,9-11,19H,2,8,12H2,1H3
InChIKeyBFWCMBNZAFQXRH-UHFFFAOYSA-N
XLogP3.64
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-imidazo[1,2-a]pyridin-5-yl-3-methylphenyl)methyl]propan-1-amine
CID 102626379
N-[(3-imidazo[1,2-a]pyridin-5-ylphenyl)methyl]propan-1-amine
CID 102626428
N-[[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]propan-1-amine
CID 81447351
N-[[3-fluoro-4-(3-propyltriazol-4-yl)phenyl]methyl]propan-1-amine
CID 114689873
N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]propan-1-amine
CID 81447432
N-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]propan-1-amine
CID 43275370
N-[[3-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine
CID 81447747
N-[[4-(2-ethoxyphenyl)-3-fluorophenyl]methyl]propan-1-amine
CID 81432612
6-imidazo[1,2-a]pyridin-5-yl-N-propylpyridin-2-amine
CID 102627302
N-[[4-(2,5-difluorophenyl)-3-fluorophenyl]methyl]propan-1-amine
CID 81446655
6-imidazo[1,2-a]pyridin-5-yl-2-methyl-N-propylpyrimidin-4-amine
CID 102627293
N-[[4-(1-ethylpyrazol-4-yl)-3-fluorophenyl]methyl]propan-1-amine
CID 81448151

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-imidazo[1,2-a]pyridin-5-ylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-fluoro-4-imidazo[1,2-a]pyridin-5-ylphenyl)methyl]propan-1-amine (CID 102626421) is N-[(3-fluoro-4-imidazo[1,2-a]pyridin-5-ylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-fluoro-4-imidazo[1,2-a]pyridin-5-ylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-fluoro-4-imidazo[1,2-a]pyridin-5-ylphenyl)methyl]propan-1-amine is CCCNCc1ccc(-c2cccc3nccn23)c(F)c1.
What is the InChIKey of N-[(3-fluoro-4-imidazo[1,2-a]pyridin-5-ylphenyl)methyl]propan-1-amine?
The InChIKey is BFWCMBNZAFQXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3/c1-2-8-19-12-13-6-7-14(15(18)11-13)16-4-3-5-17-20-9-10-21(16)17/h3-7,9-11,19H,2,8,12H2,1H3.
What are the key properties of N-[(3-fluoro-4-imidazo[1,2-a]pyridin-5-ylphenyl)methyl]propan-1-amine?
N-[(3-fluoro-4-imidazo[1,2-a]pyridin-5-ylphenyl)methyl]propan-1-amine has a molecular weight of 283.35 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-imidazo[1,2-a]pyridin-5-ylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 102626421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).