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

C31H25FN4O3 — CID 71462610

IUPAC4-[4-(4-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cc(-c2nc(-c3ccc(F)cc3)c(-c3ccnc4[nH]c(-c5ccccc5)cc34)[nH]2)cc(OC)c1OC
InChIInChI=1S/C31H25FN4O3/c1-37-25-15-20(16-26(38-2)29(25)39-3)30-35-27(19-9-11-21(32)12-10-19)28(36-30)22-13-14-33-31-23(22)17-24(34-31)18-7-5-4-6-8-18/h4-17H,1-3H3,(H,33,34)(H,35,36)
InChIKeyNSLRZPFBJXVLON-UHFFFAOYSA-N
MW520.56 g/mol
LogP7.12
Rot. Bonds7

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

4-[4-(4-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 71462610) has the molecular formula C31H25FN4O3 and a molecular weight of 520.56 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID71462610
Molecular FormulaC31H25FN4O3
Molecular Weight520.56 g/mol
Exact Mass520.19
IUPAC Name4-[4-(4-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cc(-c2nc(-c3ccc(F)cc3)c(-c3ccnc4[nH]c(-c5ccccc5)cc34)[nH]2)cc(OC)c1OC
InChIInChI=1S/C31H25FN4O3/c1-37-25-15-20(16-26(38-2)29(25)39-3)30-35-27(19-9-11-21(32)12-10-19)28(36-30)22-13-14-33-31-23(22)17-24(34-31)18-7-5-4-6-8-18/h4-17H,1-3H3,(H,33,34)(H,35,36)
InChIKeyNSLRZPFBJXVLON-UHFFFAOYSA-N
XLogP7.12
TPSA85.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.56
LogP ≤ 57.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-[4-(4-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine (CID 71462610) is 4-[4-(4-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-[4-(4-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine is COc1cc(-c2nc(-c3ccc(F)cc3)c(-c3ccnc4[nH]c(-c5ccccc5)cc34)[nH]2)cc(OC)c1OC.
What is the InChIKey of 4-[4-(4-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is NSLRZPFBJXVLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25FN4O3/c1-37-25-15-20(16-26(38-2)29(25)39-3)30-35-27(19-9-11-21(32)12-10-19)28(36-30)22-13-14-33-31-23(22)17-24(34-31)18-7-5-4-6-8-18/h4-17H,1-3H3,(H,33,34)(H,35,36).
What are the key properties of 4-[4-(4-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine?
4-[4-(4-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 520.56 g/mol, XLogP of 7.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 71462610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).