4-[3-(4-ethylphenyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-3-amine

C22H17FN6O — CID 171494976

IUPAC4-[3-(4-ethylphenyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-3-amine
SMILESCCc1ccc(-n2c(-c3conc3N)nc3ccc(-c4ccc(F)cn4)nc32)cc1
InChIInChI=1S/C22H17FN6O/c1-2-13-3-6-15(7-4-13)29-21(16-12-30-28-20(16)24)27-19-10-9-18(26-22(19)29)17-8-5-14(23)11-25-17/h3-12H,2H2,1H3,(H2,24,28)
InChIKeyDYDHPNCGJHSACQ-UHFFFAOYSA-N
MW400.42 g/mol
LogP4.42
Rot. Bonds4

About 4-[3-(4-ethylphenyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-3-amine

4-[3-(4-ethylphenyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-3-amine (PubChem CID 171494976) has the molecular formula C22H17FN6O and a molecular weight of 400.42 g/mol. Its IUPAC name is 4-[3-(4-ethylphenyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-[3-(4-ethylphenyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-3-amine
PubChem CID171494976
Molecular FormulaC22H17FN6O
Molecular Weight400.42 g/mol
Exact Mass400.14
IUPAC Name4-[3-(4-ethylphenyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-3-amine
SMILESCCc1ccc(-n2c(-c3conc3N)nc3ccc(-c4ccc(F)cn4)nc32)cc1
InChIInChI=1S/C22H17FN6O/c1-2-13-3-6-15(7-4-13)29-21(16-12-30-28-20(16)24)27-19-10-9-18(26-22(19)29)17-8-5-14(23)11-25-17/h3-12H,2H2,1H3,(H2,24,28)
InChIKeyDYDHPNCGJHSACQ-UHFFFAOYSA-N
XLogP4.42
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[3-(4-ethylphenyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-3-amine with MolForge

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Related Compounds

4-(4-(4-fluorophenyl)-1-(1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 51353555
1-(5-Tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea
CID 122182070
N-(1,2-oxazol-3-yl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 44125337
N-(isoxazol-4-yl)-6-(pyridin-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 67140487
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[4-(trifluoromethyl)pyridin-2-yl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118334980
1-(5-Tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)urea
CID 122181818
1-(5-Tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
CID 122181819
1-(5-Tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyrazin-2-ylphenyl)urea
CID 122181820
1-(5-Tert-butyl-1,2-oxazol-3-yl)-3-[4-(8-fluoroimidazo[1,2-a]pyridin-2-yl)phenyl]urea
CID 122181826
1-(5-Tert-butyl-1,2-oxazol-3-yl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]urea
CID 122181828
1-(5-Tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]urea
CID 122182068
1-[4-(7-Bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 122182069

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-ethylphenyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-3-amine?
The IUPAC name of 4-[3-(4-ethylphenyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-3-amine (CID 171494976) is 4-[3-(4-ethylphenyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-3-amine.
What is the SMILES notation for 4-[3-(4-ethylphenyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-3-amine?
The canonical SMILES for 4-[3-(4-ethylphenyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-3-amine is CCc1ccc(-n2c(-c3conc3N)nc3ccc(-c4ccc(F)cn4)nc32)cc1.
What is the InChIKey of 4-[3-(4-ethylphenyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-3-amine?
The InChIKey is DYDHPNCGJHSACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6O/c1-2-13-3-6-15(7-4-13)29-21(16-12-30-28-20(16)24)27-19-10-9-18(26-22(19)29)17-8-5-14(23)11-25-17/h3-12H,2H2,1H3,(H2,24,28).
What are the key properties of 4-[3-(4-ethylphenyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-3-amine?
4-[3-(4-ethylphenyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-3-amine has a molecular weight of 400.42 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-ethylphenyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]-1,2-oxazol-3-amine is sourced from PubChem (CID 171494976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).