2-(2,4-difluorophenyl)-5-ethyl-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine;2-(2,4-difluorophenyl)-N-(4-fluorophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine

C41H30F6N6 — CID 143803790

IUPAC2-(2,4-difluorophenyl)-5-ethyl-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine;2-(2,4-difluorophenyl)-N-(4-fluorophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
SMILESCCc1cccc2nc(-c3ccc(F)cc3F)c(Nc3ccc(F)cc3)n12.Cc1cccc2nc(-c3ccc(F)cc3F)c(Nc3ccc(F)cc3)n12
InChIInChI=1S/C21H16F3N3.C20H14F3N3/c1-2-16-4-3-5-19-26-20(17-11-8-14(23)12-18(17)24)21(27(16)19)25-15-9-6-13(22)7-10-15;1-12-3-2-4-18-25-19(16-10-7-14(22)11-17(16)23)20(26(12)18)24-15-8-5-13(21)6-9-15/h3-12,25H,2H2,1H3;2-11,24H,1H3
InChIKeySWEAUCQGLARXTO-UHFFFAOYSA-N
MW720.72 g/mol
LogP11.20
Rot. Bonds7

About 2-(2,4-difluorophenyl)-5-ethyl-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine;2-(2,4-difluorophenyl)-N-(4-fluorophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine

2-(2,4-difluorophenyl)-5-ethyl-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine;2-(2,4-difluorophenyl)-N-(4-fluorophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine (PubChem CID 143803790) has the molecular formula C41H30F6N6 and a molecular weight of 720.72 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-5-ethyl-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine;2-(2,4-difluorophenyl)-N-(4-fluorophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-5-ethyl-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine;2-(2,4-difluorophenyl)-N-(4-fluorophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
PubChem CID143803790
Molecular FormulaC41H30F6N6
Molecular Weight720.72 g/mol
Exact Mass720.24
IUPAC Name2-(2,4-difluorophenyl)-5-ethyl-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine;2-(2,4-difluorophenyl)-N-(4-fluorophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
SMILESCCc1cccc2nc(-c3ccc(F)cc3F)c(Nc3ccc(F)cc3)n12.Cc1cccc2nc(-c3ccc(F)cc3F)c(Nc3ccc(F)cc3)n12
InChIInChI=1S/C21H16F3N3.C20H14F3N3/c1-2-16-4-3-5-19-26-20(17-11-8-14(23)12-18(17)24)21(27(16)19)25-15-9-6-13(22)7-10-15;1-12-3-2-4-18-25-19(16-10-7-14(22)11-17(16)23)20(26(12)18)24-15-8-5-13(21)6-9-15/h3-12,25H,2H2,1H3;2-11,24H,1H3
InChIKeySWEAUCQGLARXTO-UHFFFAOYSA-N
XLogP11.20
TPSA58.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms53
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.72
LogP ≤ 511.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2,4-difluorophenyl)-5-ethyl-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine;2-(2,4-difluorophenyl)-N-(4-fluorophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-5-ethyl-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine;2-(2,4-difluorophenyl)-N-(4-fluorophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(2,4-difluorophenyl)-5-ethyl-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine;2-(2,4-difluorophenyl)-N-(4-fluorophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine (CID 143803790) is 2-(2,4-difluorophenyl)-5-ethyl-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine;2-(2,4-difluorophenyl)-N-(4-fluorophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-5-ethyl-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine;2-(2,4-difluorophenyl)-N-(4-fluorophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(2,4-difluorophenyl)-5-ethyl-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine;2-(2,4-difluorophenyl)-N-(4-fluorophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine is CCc1cccc2nc(-c3ccc(F)cc3F)c(Nc3ccc(F)cc3)n12.Cc1cccc2nc(-c3ccc(F)cc3F)c(Nc3ccc(F)cc3)n12.
What is the InChIKey of 2-(2,4-difluorophenyl)-5-ethyl-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine;2-(2,4-difluorophenyl)-N-(4-fluorophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is SWEAUCQGLARXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3.C20H14F3N3/c1-2-16-4-3-5-19-26-20(17-11-8-14(23)12-18(17)24)21(27(16)19)25-15-9-6-13(22)7-10-15;1-12-3-2-4-18-25-19(16-10-7-14(22)11-17(16)23)20(26(12)18)24-15-8-5-13(21)6-9-15/h3-12,25H,2H2,1H3;2-11,24H,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-5-ethyl-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine;2-(2,4-difluorophenyl)-N-(4-fluorophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine?
2-(2,4-difluorophenyl)-5-ethyl-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine;2-(2,4-difluorophenyl)-N-(4-fluorophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 720.72 g/mol, XLogP of 11.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-5-ethyl-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine;2-(2,4-difluorophenyl)-N-(4-fluorophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 143803790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).