1-ethyl-3-(4-fluorophenyl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea

C17H17FN4O — CID 90570681

IUPAC1-ethyl-3-(4-fluorophenyl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea
SMILESCCN(Cc1cnc2ccccn12)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H17FN4O/c1-2-21(17(23)20-14-8-6-13(18)7-9-14)12-15-11-19-16-5-3-4-10-22(15)16/h3-11H,2,12H2,1H3,(H,20,23)
InChIKeySGHNFCXGVFUFED-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.53
Rot. Bonds4

About 1-ethyl-3-(4-fluorophenyl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea

1-ethyl-3-(4-fluorophenyl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea (PubChem CID 90570681) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 1-ethyl-3-(4-fluorophenyl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-ethyl-3-(4-fluorophenyl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea
PubChem CID90570681
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name1-ethyl-3-(4-fluorophenyl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea
SMILESCCN(Cc1cnc2ccccn12)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H17FN4O/c1-2-21(17(23)20-14-8-6-13(18)7-9-14)12-15-11-19-16-5-3-4-10-22(15)16/h3-11H,2,12H2,1H3,(H,20,23)
InChIKeySGHNFCXGVFUFED-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

3-(2,6-difluorophenyl)-1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea
CID 90570690
1-ethyl-3-(2-fluorophenyl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea
CID 90570706
1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-(3-methoxyphenyl)urea
CID 90570682
1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-prop-2-enylurea
CID 90570703
3-benzhydryl-1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea
CID 71802045
N,2-diethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)butanamide
CID 90570483
1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-[(4-methoxyphenyl)methyl]urea
CID 71802043
N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-9H-xanthene-9-carboxamide
CID 71802028
N-(3,5-difluorophenyl)-2-[imidazo[1,2-a]pyridin-3-ylmethyl(methyl)amino]acetamide
CID 71873708
N-ethyl-1-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)methanesulfonamide
CID 90570764
N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenoxypropanamide
CID 90570565
N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide
CID 90570672

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-fluorophenyl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea?
The IUPAC name of 1-ethyl-3-(4-fluorophenyl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea (CID 90570681) is 1-ethyl-3-(4-fluorophenyl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-ethyl-3-(4-fluorophenyl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-ethyl-3-(4-fluorophenyl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea is CCN(Cc1cnc2ccccn12)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-ethyl-3-(4-fluorophenyl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea?
The InChIKey is SGHNFCXGVFUFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-2-21(17(23)20-14-8-6-13(18)7-9-14)12-15-11-19-16-5-3-4-10-22(15)16/h3-11H,2,12H2,1H3,(H,20,23).
What are the key properties of 1-ethyl-3-(4-fluorophenyl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea?
1-ethyl-3-(4-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-(4-fluorophenyl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea is sourced from PubChem (CID 90570681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).