2-(4-fluorophenyl)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyridin-8-amine

C26H21FN4O — CID 58515615

IUPAC2-(4-fluorophenyl)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyridin-8-amine
SMILESC=C(C)c1c(-c2ccc(F)cc2)nc2c(Nc3ccc(-c4cnc(C)o4)cc3)cccn12
InChIInChI=1S/C26H21FN4O/c1-16(2)25-24(19-6-10-20(27)11-7-19)30-26-22(5-4-14-31(25)26)29-21-12-8-18(9-13-21)23-15-28-17(3)32-23/h4-15,29H,1H2,2-3H3
InChIKeyVOYDAUHDVJBEFZ-UHFFFAOYSA-N
MW424.48 g/mol
LogP6.88
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyridin-8-amine

2-(4-fluorophenyl)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyridin-8-amine (PubChem CID 58515615) has the molecular formula C26H21FN4O and a molecular weight of 424.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyridin-8-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyridin-8-amine
PubChem CID58515615
Molecular FormulaC26H21FN4O
Molecular Weight424.48 g/mol
Exact Mass424.17
IUPAC Name2-(4-fluorophenyl)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyridin-8-amine
SMILESC=C(C)c1c(-c2ccc(F)cc2)nc2c(Nc3ccc(-c4cnc(C)o4)cc3)cccn12
InChIInChI=1S/C26H21FN4O/c1-16(2)25-24(19-6-10-20(27)11-7-19)30-26-22(5-4-14-31(25)26)29-21-12-8-18(9-13-21)23-15-28-17(3)32-23/h4-15,29H,1H2,2-3H3
InChIKeyVOYDAUHDVJBEFZ-UHFFFAOYSA-N
XLogP6.88
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.48
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyridin-8-amine?
The IUPAC name of 2-(4-fluorophenyl)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyridin-8-amine (CID 58515615) is 2-(4-fluorophenyl)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyridin-8-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyridin-8-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyridin-8-amine is C=C(C)c1c(-c2ccc(F)cc2)nc2c(Nc3ccc(-c4cnc(C)o4)cc3)cccn12.
What is the InChIKey of 2-(4-fluorophenyl)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyridin-8-amine?
The InChIKey is VOYDAUHDVJBEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O/c1-16(2)25-24(19-6-10-20(27)11-7-19)30-26-22(5-4-14-31(25)26)29-21-12-8-18(9-13-21)23-15-28-17(3)32-23/h4-15,29H,1H2,2-3H3.
What are the key properties of 2-(4-fluorophenyl)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyridin-8-amine?
2-(4-fluorophenyl)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyridin-8-amine has a molecular weight of 424.48 g/mol, XLogP of 6.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-prop-1-en-2-ylimidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 58515615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).