7-(4-fluorophenyl)-5-[3-(5-nitro-1H-imidazol-2-yl)propyl]-6-pyridin-4-ylpyrrolo[2,3-b]pyrazine

C23H18FN7O2 — CID 67240993

IUPAC7-(4-fluorophenyl)-5-[3-(5-nitro-1H-imidazol-2-yl)propyl]-6-pyridin-4-ylpyrrolo[2,3-b]pyrazine
SMILESO=[N+]([O-])c1cnc(CCCn2c(-c3ccncc3)c(-c3ccc(F)cc3)c3nccnc32)[nH]1
InChIInChI=1S/C23H18FN7O2/c24-17-5-3-15(4-6-17)20-21-23(27-12-11-26-21)30(22(20)16-7-9-25-10-8-16)13-1-2-18-28-14-19(29-18)31(32)33/h3-12,14H,1-2,13H2,(H,28,29)
InChIKeyRHYXGIZITLDBRR-UHFFFAOYSA-N
MW443.44 g/mol
LogP4.56
Rot. Bonds7

About 7-(4-fluorophenyl)-5-[3-(5-nitro-1H-imidazol-2-yl)propyl]-6-pyridin-4-ylpyrrolo[2,3-b]pyrazine

7-(4-fluorophenyl)-5-[3-(5-nitro-1H-imidazol-2-yl)propyl]-6-pyridin-4-ylpyrrolo[2,3-b]pyrazine (PubChem CID 67240993) has the molecular formula C23H18FN7O2 and a molecular weight of 443.44 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-5-[3-(5-nitro-1H-imidazol-2-yl)propyl]-6-pyridin-4-ylpyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-5-[3-(5-nitro-1H-imidazol-2-yl)propyl]-6-pyridin-4-ylpyrrolo[2,3-b]pyrazine
PubChem CID67240993
Molecular FormulaC23H18FN7O2
Molecular Weight443.44 g/mol
Exact Mass443.15
IUPAC Name7-(4-fluorophenyl)-5-[3-(5-nitro-1H-imidazol-2-yl)propyl]-6-pyridin-4-ylpyrrolo[2,3-b]pyrazine
SMILESO=[N+]([O-])c1cnc(CCCn2c(-c3ccncc3)c(-c3ccc(F)cc3)c3nccnc32)[nH]1
InChIInChI=1S/C23H18FN7O2/c24-17-5-3-15(4-6-17)20-21-23(27-12-11-26-21)30(22(20)16-7-9-25-10-8-16)13-1-2-18-28-14-19(29-18)31(32)33/h3-12,14H,1-2,13H2,(H,28,29)
InChIKeyRHYXGIZITLDBRR-UHFFFAOYSA-N
XLogP4.56
TPSA115.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-5-[3-(5-nitro-1H-imidazol-2-yl)propyl]-6-pyridin-4-ylpyrrolo[2,3-b]pyrazine?
The IUPAC name of 7-(4-fluorophenyl)-5-[3-(5-nitro-1H-imidazol-2-yl)propyl]-6-pyridin-4-ylpyrrolo[2,3-b]pyrazine (CID 67240993) is 7-(4-fluorophenyl)-5-[3-(5-nitro-1H-imidazol-2-yl)propyl]-6-pyridin-4-ylpyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 7-(4-fluorophenyl)-5-[3-(5-nitro-1H-imidazol-2-yl)propyl]-6-pyridin-4-ylpyrrolo[2,3-b]pyrazine?
The canonical SMILES for 7-(4-fluorophenyl)-5-[3-(5-nitro-1H-imidazol-2-yl)propyl]-6-pyridin-4-ylpyrrolo[2,3-b]pyrazine is O=[N+]([O-])c1cnc(CCCn2c(-c3ccncc3)c(-c3ccc(F)cc3)c3nccnc32)[nH]1.
What is the InChIKey of 7-(4-fluorophenyl)-5-[3-(5-nitro-1H-imidazol-2-yl)propyl]-6-pyridin-4-ylpyrrolo[2,3-b]pyrazine?
The InChIKey is RHYXGIZITLDBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN7O2/c24-17-5-3-15(4-6-17)20-21-23(27-12-11-26-21)30(22(20)16-7-9-25-10-8-16)13-1-2-18-28-14-19(29-18)31(32)33/h3-12,14H,1-2,13H2,(H,28,29).
What are the key properties of 7-(4-fluorophenyl)-5-[3-(5-nitro-1H-imidazol-2-yl)propyl]-6-pyridin-4-ylpyrrolo[2,3-b]pyrazine?
7-(4-fluorophenyl)-5-[3-(5-nitro-1H-imidazol-2-yl)propyl]-6-pyridin-4-ylpyrrolo[2,3-b]pyrazine has a molecular weight of 443.44 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-5-[3-(5-nitro-1H-imidazol-2-yl)propyl]-6-pyridin-4-ylpyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 67240993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).