1-ethyl-3-(2-fluorophenyl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea

C17H17FN4O — CID 90570706

IUPAC1-ethyl-3-(2-fluorophenyl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea
SMILESCCN(Cc1cnc2ccccn12)C(=O)Nc1ccccc1F
InChIInChI=1S/C17H17FN4O/c1-2-21(17(23)20-15-8-4-3-7-14(15)18)12-13-11-19-16-9-5-6-10-22(13)16/h3-11H,2,12H2,1H3,(H,20,23)
InChIKeyIFJLYAMCDMCTOW-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.53
Rot. Bonds4

About 1-ethyl-3-(2-fluorophenyl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea

1-ethyl-3-(2-fluorophenyl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea (PubChem CID 90570706) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 1-ethyl-3-(2-fluorophenyl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-ethyl-3-(2-fluorophenyl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea
PubChem CID90570706
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name1-ethyl-3-(2-fluorophenyl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea
SMILESCCN(Cc1cnc2ccccn12)C(=O)Nc1ccccc1F
InChIInChI=1S/C17H17FN4O/c1-2-21(17(23)20-15-8-4-3-7-14(15)18)12-13-11-19-16-9-5-6-10-22(13)16/h3-11H,2,12H2,1H3,(H,20,23)
InChIKeyIFJLYAMCDMCTOW-UHFFFAOYSA-N
XLogP3.53
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-9-propan-2-yl-purine-2,8-diamine
CID 54759842
N-cyclohexyl-4-(imidazo(1,2-a)pyridin-3-yl)-N-methylpyrimidin-2-amine
CID 24801862
Imidazopyridine 12b
CID 5329348
Imidazopyridine 12c
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Imidazopyridine 18a
CID 5329351

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-fluorophenyl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea?
The IUPAC name of 1-ethyl-3-(2-fluorophenyl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea (CID 90570706) is 1-ethyl-3-(2-fluorophenyl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-ethyl-3-(2-fluorophenyl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-ethyl-3-(2-fluorophenyl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea is CCN(Cc1cnc2ccccn12)C(=O)Nc1ccccc1F.
What is the InChIKey of 1-ethyl-3-(2-fluorophenyl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea?
The InChIKey is IFJLYAMCDMCTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-2-21(17(23)20-15-8-4-3-7-14(15)18)12-13-11-19-16-9-5-6-10-22(13)16/h3-11H,2,12H2,1H3,(H,20,23).
What are the key properties of 1-ethyl-3-(2-fluorophenyl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea?
1-ethyl-3-(2-fluorophenyl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea has a molecular weight of 312.35 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-fluorophenyl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea is sourced from PubChem (CID 90570706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).