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

C19H12F4N4 — CID 155389287

IUPAC1-[(6-fluoro-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine
SMILESFc1ccc(Cn2ncc3ncc(-c4cccc(C(F)(F)F)c4)cc32)cn1
InChIInChI=1S/C19H12F4N4/c20-18-5-4-12(8-25-18)11-27-17-7-14(9-24-16(17)10-26-27)13-2-1-3-15(6-13)19(21,22)23/h1-10H,11H2
InChIKeyFOAPUJZEKDXDAP-UHFFFAOYSA-N
MW372.33 g/mol
LogP4.70
Rot. Bonds3

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

1-[(6-fluoro-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine (PubChem CID 155389287) has the molecular formula C19H12F4N4 and a molecular weight of 372.33 g/mol. Its IUPAC name is 1-[(6-fluoro-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name1-[(6-fluoro-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine
PubChem CID155389287
Molecular FormulaC19H12F4N4
Molecular Weight372.33 g/mol
Exact Mass372.10
IUPAC Name1-[(6-fluoro-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine
SMILESFc1ccc(Cn2ncc3ncc(-c4cccc(C(F)(F)F)c4)cc32)cn1
InChIInChI=1S/C19H12F4N4/c20-18-5-4-12(8-25-18)11-27-17-7-14(9-24-16(17)10-26-27)13-2-1-3-15(6-13)19(21,22)23/h1-10H,11H2
InChIKeyFOAPUJZEKDXDAP-UHFFFAOYSA-N
XLogP4.70
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.33
LogP ≤ 54.70
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 1-[(6-fluoro-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 1-[(6-fluoro-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine (CID 155389287) is 1-[(6-fluoro-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 1-[(6-fluoro-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 1-[(6-fluoro-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine is Fc1ccc(Cn2ncc3ncc(-c4cccc(C(F)(F)F)c4)cc32)cn1.
What is the InChIKey of 1-[(6-fluoro-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine?
The InChIKey is FOAPUJZEKDXDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F4N4/c20-18-5-4-12(8-25-18)11-27-17-7-14(9-24-16(17)10-26-27)13-2-1-3-15(6-13)19(21,22)23/h1-10H,11H2.
What are the key properties of 1-[(6-fluoro-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine?
1-[(6-fluoro-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine has a molecular weight of 372.33 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoro-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155389287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).