6-(2,4-difluoro-3-methylphenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine

C19H13F3N4 — CID 155388797

IUPAC6-(2,4-difluoro-3-methylphenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESCc1c(F)ccc(-c2cnc3cnn(Cc4ccc(F)nc4)c3c2)c1F
InChIInChI=1S/C19H13F3N4/c1-11-15(20)4-3-14(19(11)22)13-6-17-16(23-8-13)9-25-26(17)10-12-2-5-18(21)24-7-12/h2-9H,10H2,1H3
InChIKeyYHUICEWAEFQZIK-UHFFFAOYSA-N
MW354.34 g/mol
LogP4.27
Rot. Bonds3

About 6-(2,4-difluoro-3-methylphenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine

6-(2,4-difluoro-3-methylphenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (PubChem CID 155388797) has the molecular formula C19H13F3N4 and a molecular weight of 354.34 g/mol. Its IUPAC name is 6-(2,4-difluoro-3-methylphenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(2,4-difluoro-3-methylphenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
PubChem CID155388797
Molecular FormulaC19H13F3N4
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC Name6-(2,4-difluoro-3-methylphenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESCc1c(F)ccc(-c2cnc3cnn(Cc4ccc(F)nc4)c3c2)c1F
InChIInChI=1S/C19H13F3N4/c1-11-15(20)4-3-14(19(11)22)13-6-17-16(23-8-13)9-25-26(17)10-12-2-5-18(21)24-7-12/h2-9H,10H2,1H3
InChIKeyYHUICEWAEFQZIK-UHFFFAOYSA-N
XLogP4.27
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 54.27
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-(2,4-difluoro-3-methylphenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-(2,4-difluoro-3-methylphenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (CID 155388797) is 6-(2,4-difluoro-3-methylphenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-(2,4-difluoro-3-methylphenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-(2,4-difluoro-3-methylphenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is Cc1c(F)ccc(-c2cnc3cnn(Cc4ccc(F)nc4)c3c2)c1F.
What is the InChIKey of 6-(2,4-difluoro-3-methylphenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The InChIKey is YHUICEWAEFQZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4/c1-11-15(20)4-3-14(19(11)22)13-6-17-16(23-8-13)9-25-26(17)10-12-2-5-18(21)24-7-12/h2-9H,10H2,1H3.
What are the key properties of 6-(2,4-difluoro-3-methylphenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
6-(2,4-difluoro-3-methylphenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine has a molecular weight of 354.34 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluoro-3-methylphenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155388797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).