4-[5-(4-fluorophenyl)-3-(methoxymethyl)-2-phenylimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine

C24H19FN4O — CID 71451913

IUPAC4-[5-(4-fluorophenyl)-3-(methoxymethyl)-2-phenylimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOCn1c(-c2ccccc2)nc(-c2ccc(F)cc2)c1-c1ccnc2[nH]ccc12
InChIInChI=1S/C24H19FN4O/c1-30-15-29-22(19-11-13-26-23-20(19)12-14-27-23)21(16-7-9-18(25)10-8-16)28-24(29)17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,26,27)
InChIKeyHBFOEPDZNVUJBQ-UHFFFAOYSA-N
MW398.44 g/mol
LogP5.50
Rot. Bonds5

About 4-[5-(4-fluorophenyl)-3-(methoxymethyl)-2-phenylimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine

4-[5-(4-fluorophenyl)-3-(methoxymethyl)-2-phenylimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 71451913) has the molecular formula C24H19FN4O and a molecular weight of 398.44 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-(methoxymethyl)-2-phenylimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-(methoxymethyl)-2-phenylimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID71451913
Molecular FormulaC24H19FN4O
Molecular Weight398.44 g/mol
Exact Mass398.15
IUPAC Name4-[5-(4-fluorophenyl)-3-(methoxymethyl)-2-phenylimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOCn1c(-c2ccccc2)nc(-c2ccc(F)cc2)c1-c1ccnc2[nH]ccc12
InChIInChI=1S/C24H19FN4O/c1-30-15-29-22(19-11-13-26-23-20(19)12-14-27-23)21(16-7-9-18(25)10-8-16)28-24(29)17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,26,27)
InChIKeyHBFOEPDZNVUJBQ-UHFFFAOYSA-N
XLogP5.50
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.44
LogP ≤ 55.50
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-(methoxymethyl)-2-phenylimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-(methoxymethyl)-2-phenylimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine (CID 71451913) is 4-[5-(4-fluorophenyl)-3-(methoxymethyl)-2-phenylimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-(methoxymethyl)-2-phenylimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-(methoxymethyl)-2-phenylimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine is COCn1c(-c2ccccc2)nc(-c2ccc(F)cc2)c1-c1ccnc2[nH]ccc12.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-(methoxymethyl)-2-phenylimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is HBFOEPDZNVUJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O/c1-30-15-29-22(19-11-13-26-23-20(19)12-14-27-23)21(16-7-9-18(25)10-8-16)28-24(29)17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,26,27).
What are the key properties of 4-[5-(4-fluorophenyl)-3-(methoxymethyl)-2-phenylimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
4-[5-(4-fluorophenyl)-3-(methoxymethyl)-2-phenylimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 398.44 g/mol, XLogP of 5.50, 5 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-(methoxymethyl)-2-phenylimidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 71451913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).