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

C27H25FN4O — CID 42635825

IUPAC1-[1-(4-fluorophenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[2,3-b]pyridine
SMILESCCC(c1ccc(F)cc1)n1cc(-c2ccc(-n3cnc(C)c3)c(OC)c2)c2cccnc21
InChIInChI=1S/C27H25FN4O/c1-4-24(19-7-10-21(28)11-8-19)32-16-23(22-6-5-13-29-27(22)32)20-9-12-25(26(14-20)33-3)31-15-18(2)30-17-31/h5-17,24H,4H2,1-3H3
InChIKeyIUZIQGVGFWQFSP-UHFFFAOYSA-N
MW440.52 g/mol
LogP6.34
Rot. Bonds6

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

1-[1-(4-fluorophenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[2,3-b]pyridine (PubChem CID 42635825) has the molecular formula C27H25FN4O and a molecular weight of 440.52 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[2,3-b]pyridine
PubChem CID42635825
Molecular FormulaC27H25FN4O
Molecular Weight440.52 g/mol
Exact Mass440.20
IUPAC Name1-[1-(4-fluorophenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[2,3-b]pyridine
SMILESCCC(c1ccc(F)cc1)n1cc(-c2ccc(-n3cnc(C)c3)c(OC)c2)c2cccnc21
InChIInChI=1S/C27H25FN4O/c1-4-24(19-7-10-21(28)11-8-19)32-16-23(22-6-5-13-29-27(22)32)20-9-12-25(26(14-20)33-3)31-15-18(2)30-17-31/h5-17,24H,4H2,1-3H3
InChIKeyIUZIQGVGFWQFSP-UHFFFAOYSA-N
XLogP6.34
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.52
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-(4-fluorophenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-[1-(4-fluorophenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[2,3-b]pyridine (CID 42635825) is 1-[1-(4-fluorophenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-[1-(4-fluorophenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-[1-(4-fluorophenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[2,3-b]pyridine is CCC(c1ccc(F)cc1)n1cc(-c2ccc(-n3cnc(C)c3)c(OC)c2)c2cccnc21.
What is the InChIKey of 1-[1-(4-fluorophenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[2,3-b]pyridine?
The InChIKey is IUZIQGVGFWQFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O/c1-4-24(19-7-10-21(28)11-8-19)32-16-23(22-6-5-13-29-27(22)32)20-9-12-25(26(14-20)33-3)31-15-18(2)30-17-31/h5-17,24H,4H2,1-3H3.
What are the key properties of 1-[1-(4-fluorophenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[2,3-b]pyridine?
1-[1-(4-fluorophenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[2,3-b]pyridine has a molecular weight of 440.52 g/mol, XLogP of 6.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 42635825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).