5-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,3-oxazole

C20H14FN5O — CID 139553690

IUPAC5-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,3-oxazole
SMILESFc1ccc(-c2ncn(Cc3cnco3)c2-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C20H14FN5O/c21-14-3-1-13(2-4-14)18-19(16-5-7-23-20-17(16)6-8-24-20)26(11-25-18)10-15-9-22-12-27-15/h1-9,11-12H,10H2,(H,23,24)
InChIKeyGTJRRCHALYXQSD-UHFFFAOYSA-N
MW359.36 g/mol
LogP4.27
Rot. Bonds4

About 5-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,3-oxazole

5-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,3-oxazole (PubChem CID 139553690) has the molecular formula C20H14FN5O and a molecular weight of 359.36 g/mol. Its IUPAC name is 5-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,3-oxazole
PubChem CID139553690
Molecular FormulaC20H14FN5O
Molecular Weight359.36 g/mol
Exact Mass359.12
IUPAC Name5-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,3-oxazole
SMILESFc1ccc(-c2ncn(Cc3cnco3)c2-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C20H14FN5O/c21-14-3-1-13(2-4-14)18-19(16-5-7-23-20-17(16)6-8-24-20)26(11-25-18)10-15-9-22-12-27-15/h1-9,11-12H,10H2,(H,23,24)
InChIKeyGTJRRCHALYXQSD-UHFFFAOYSA-N
XLogP4.27
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,3-oxazole (CID 139553690) is 5-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,3-oxazole is Fc1ccc(-c2ncn(Cc3cnco3)c2-c2ccnc3[nH]ccc23)cc1.
What is the InChIKey of 5-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,3-oxazole?
The InChIKey is GTJRRCHALYXQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5O/c21-14-3-1-13(2-4-14)18-19(16-5-7-23-20-17(16)6-8-24-20)26(11-25-18)10-15-9-22-12-27-15/h1-9,11-12H,10H2,(H,23,24).
What are the key properties of 5-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,3-oxazole?
5-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,3-oxazole has a molecular weight of 359.36 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 139553690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).