[2-(4-fluorophenyl)-3-[2-[(5-phenyl-1,2-oxazol-3-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol

C28H21FN6O2 — CID 58824562

IUPAC[2-(4-fluorophenyl)-3-[2-[(5-phenyl-1,2-oxazol-3-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESOCc1ccn2c(-c3ccnc(NCc4cc(-c5ccccc5)on4)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C28H21FN6O2/c29-21-8-6-20(7-9-21)26-27(35-13-11-18(17-36)14-25(35)33-26)23-10-12-30-28(32-23)31-16-22-15-24(37-34-22)19-4-2-1-3-5-19/h1-15,36H,16-17H2,(H,30,31,32)
InChIKeyLPWYZVQPDLMOFN-UHFFFAOYSA-N
MW492.51 g/mol
LogP5.36
Rot. Bonds7

About [2-(4-fluorophenyl)-3-[2-[(5-phenyl-1,2-oxazol-3-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol

[2-(4-fluorophenyl)-3-[2-[(5-phenyl-1,2-oxazol-3-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 58824562) has the molecular formula C28H21FN6O2 and a molecular weight of 492.51 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-3-[2-[(5-phenyl-1,2-oxazol-3-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-3-[2-[(5-phenyl-1,2-oxazol-3-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
PubChem CID58824562
Molecular FormulaC28H21FN6O2
Molecular Weight492.51 g/mol
Exact Mass492.17
IUPAC Name[2-(4-fluorophenyl)-3-[2-[(5-phenyl-1,2-oxazol-3-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESOCc1ccn2c(-c3ccnc(NCc4cc(-c5ccccc5)on4)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C28H21FN6O2/c29-21-8-6-20(7-9-21)26-27(35-13-11-18(17-36)14-25(35)33-26)23-10-12-30-28(32-23)31-16-22-15-24(37-34-22)19-4-2-1-3-5-19/h1-15,36H,16-17H2,(H,30,31,32)
InChIKeyLPWYZVQPDLMOFN-UHFFFAOYSA-N
XLogP5.36
TPSA101.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.51
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-3-[2-[(5-phenyl-1,2-oxazol-3-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The IUPAC name of [2-(4-fluorophenyl)-3-[2-[(5-phenyl-1,2-oxazol-3-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (CID 58824562) is [2-(4-fluorophenyl)-3-[2-[(5-phenyl-1,2-oxazol-3-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.
What is the SMILES notation for [2-(4-fluorophenyl)-3-[2-[(5-phenyl-1,2-oxazol-3-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The canonical SMILES for [2-(4-fluorophenyl)-3-[2-[(5-phenyl-1,2-oxazol-3-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is OCc1ccn2c(-c3ccnc(NCc4cc(-c5ccccc5)on4)n3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of [2-(4-fluorophenyl)-3-[2-[(5-phenyl-1,2-oxazol-3-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The InChIKey is LPWYZVQPDLMOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21FN6O2/c29-21-8-6-20(7-9-21)26-27(35-13-11-18(17-36)14-25(35)33-26)23-10-12-30-28(32-23)31-16-22-15-24(37-34-22)19-4-2-1-3-5-19/h1-15,36H,16-17H2,(H,30,31,32).
What are the key properties of [2-(4-fluorophenyl)-3-[2-[(5-phenyl-1,2-oxazol-3-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
[2-(4-fluorophenyl)-3-[2-[(5-phenyl-1,2-oxazol-3-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 492.51 g/mol, XLogP of 5.36, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-3-[2-[(5-phenyl-1,2-oxazol-3-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 58824562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).