4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine

C21H15FN4O — CID 139552353

IUPAC4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccc(-c2ncn(Cc3ccco3)c2-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C21H15FN4O/c22-15-5-3-14(4-6-15)19-20(17-7-9-23-21-18(17)8-10-24-21)26(13-25-19)12-16-2-1-11-27-16/h1-11,13H,12H2,(H,23,24)
InChIKeyLTWONOYAUHNRAJ-UHFFFAOYSA-N
MW358.38 g/mol
LogP4.87
Rot. Bonds4

About 4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine

4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 139552353) has the molecular formula C21H15FN4O and a molecular weight of 358.38 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID139552353
Molecular FormulaC21H15FN4O
Molecular Weight358.38 g/mol
Exact Mass358.12
IUPAC Name4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccc(-c2ncn(Cc3ccco3)c2-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C21H15FN4O/c22-15-5-3-14(4-6-15)19-20(17-7-9-23-21-18(17)8-10-24-21)26(13-25-19)12-16-2-1-11-27-16/h1-11,13H,12H2,(H,23,24)
InChIKeyLTWONOYAUHNRAJ-UHFFFAOYSA-N
XLogP4.87
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine (CID 139552353) is 4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine is Fc1ccc(-c2ncn(Cc3ccco3)c2-c2ccnc3[nH]ccc23)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is LTWONOYAUHNRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O/c22-15-5-3-14(4-6-15)19-20(17-7-9-23-21-18(17)8-10-24-21)26(13-25-19)12-16-2-1-11-27-16/h1-11,13H,12H2,(H,23,24).
What are the key properties of 4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 358.38 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 139552353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).