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

C17H13FN4 — CID 175818922

IUPAC1-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]pyrrolo[2,3-b]pyridine
SMILESCn1cnc(-c2ccc(F)cc2)c1-n1ccc2cccnc21
InChIInChI=1S/C17H13FN4/c1-21-11-20-15(12-4-6-14(18)7-5-12)17(21)22-10-8-13-3-2-9-19-16(13)22/h2-11H,1H3
InChIKeyJCEBNXLJHCJVFW-UHFFFAOYSA-N
MW292.32 g/mol
LogP3.57
Rot. Bonds2

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

1-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]pyrrolo[2,3-b]pyridine (PubChem CID 175818922) has the molecular formula C17H13FN4 and a molecular weight of 292.32 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]pyrrolo[2,3-b]pyridine
PubChem CID175818922
Molecular FormulaC17H13FN4
Molecular Weight292.32 g/mol
Exact Mass292.11
IUPAC Name1-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]pyrrolo[2,3-b]pyridine
SMILESCn1cnc(-c2ccc(F)cc2)c1-n1ccc2cccnc21
InChIInChI=1S/C17H13FN4/c1-21-11-20-15(12-4-6-14(18)7-5-12)17(21)22-10-8-13-3-2-9-19-16(13)22/h2-11H,1H3
InChIKeyJCEBNXLJHCJVFW-UHFFFAOYSA-N
XLogP3.57
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]pyrrolo[2,3-b]pyridine (CID 175818922) is 1-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]pyrrolo[2,3-b]pyridine is Cn1cnc(-c2ccc(F)cc2)c1-n1ccc2cccnc21.
What is the InChIKey of 1-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]pyrrolo[2,3-b]pyridine?
The InChIKey is JCEBNXLJHCJVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4/c1-21-11-20-15(12-4-6-14(18)7-5-12)17(21)22-10-8-13-3-2-9-19-16(13)22/h2-11H,1H3.
What are the key properties of 1-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]pyrrolo[2,3-b]pyridine?
1-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]pyrrolo[2,3-b]pyridine has a molecular weight of 292.32 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 175818922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).