6-(3-bromo-4-fluorophenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine

C18H11BrF2N4 — CID 155388712

IUPAC6-(3-bromo-4-fluorophenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESFc1ccc(Cn2ncc3ncc(-c4ccc(F)c(Br)c4)cc32)cn1
InChIInChI=1S/C18H11BrF2N4/c19-14-5-12(2-3-15(14)20)13-6-17-16(22-8-13)9-24-25(17)10-11-1-4-18(21)23-7-11/h1-9H,10H2
InChIKeyVZTVRZNCFGPZIN-UHFFFAOYSA-N
MW401.21 g/mol
LogP4.58
Rot. Bonds3

About 6-(3-bromo-4-fluorophenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine

6-(3-bromo-4-fluorophenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (PubChem CID 155388712) has the molecular formula C18H11BrF2N4 and a molecular weight of 401.21 g/mol. Its IUPAC name is 6-(3-bromo-4-fluorophenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(3-bromo-4-fluorophenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
PubChem CID155388712
Molecular FormulaC18H11BrF2N4
Molecular Weight401.21 g/mol
Exact Mass400.01
IUPAC Name6-(3-bromo-4-fluorophenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESFc1ccc(Cn2ncc3ncc(-c4ccc(F)c(Br)c4)cc32)cn1
InChIInChI=1S/C18H11BrF2N4/c19-14-5-12(2-3-15(14)20)13-6-17-16(22-8-13)9-24-25(17)10-11-1-4-18(21)23-7-11/h1-9H,10H2
InChIKeyVZTVRZNCFGPZIN-UHFFFAOYSA-N
XLogP4.58
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.21
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-4-fluorophenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-(3-bromo-4-fluorophenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (CID 155388712) is 6-(3-bromo-4-fluorophenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-(3-bromo-4-fluorophenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-(3-bromo-4-fluorophenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is Fc1ccc(Cn2ncc3ncc(-c4ccc(F)c(Br)c4)cc32)cn1.
What is the InChIKey of 6-(3-bromo-4-fluorophenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The InChIKey is VZTVRZNCFGPZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrF2N4/c19-14-5-12(2-3-15(14)20)13-6-17-16(22-8-13)9-24-25(17)10-11-1-4-18(21)23-7-11/h1-9H,10H2.
What are the key properties of 6-(3-bromo-4-fluorophenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
6-(3-bromo-4-fluorophenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine has a molecular weight of 401.21 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-4-fluorophenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155388712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).