1-[[5-(difluoromethoxy)-3-pyridinyl]methyl]-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine

C19H11F5N4O — CID 155388764

IUPAC1-[[5-(difluoromethoxy)-3-pyridinyl]methyl]-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine
SMILESFc1cc(-c2cnc3cnn(Cc4cncc(OC(F)F)c4)c3c2)cc(F)c1F
InChIInChI=1S/C19H11F5N4O/c20-14-2-11(3-15(21)18(14)22)12-4-17-16(26-6-12)8-27-28(17)9-10-1-13(7-25-5-10)29-19(23)24/h1-8,19H,9H2
InChIKeyWOPSKDWOMGWQKB-UHFFFAOYSA-N
MW406.31 g/mol
LogP4.56
Rot. Bonds5

About 1-[[5-(difluoromethoxy)-3-pyridinyl]methyl]-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine

1-[[5-(difluoromethoxy)-3-pyridinyl]methyl]-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine (PubChem CID 155388764) has the molecular formula C19H11F5N4O and a molecular weight of 406.31 g/mol. Its IUPAC name is 1-[[5-(difluoromethoxy)-3-pyridinyl]methyl]-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name1-[[5-(difluoromethoxy)-3-pyridinyl]methyl]-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine
PubChem CID155388764
Molecular FormulaC19H11F5N4O
Molecular Weight406.31 g/mol
Exact Mass406.09
IUPAC Name1-[[5-(difluoromethoxy)-3-pyridinyl]methyl]-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine
SMILESFc1cc(-c2cnc3cnn(Cc4cncc(OC(F)F)c4)c3c2)cc(F)c1F
InChIInChI=1S/C19H11F5N4O/c20-14-2-11(3-15(21)18(14)22)12-4-17-16(26-6-12)8-27-28(17)9-10-1-13(7-25-5-10)29-19(23)24/h1-8,19H,9H2
InChIKeyWOPSKDWOMGWQKB-UHFFFAOYSA-N
XLogP4.56
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(difluoromethoxy)-3-pyridinyl]methyl]-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine?
The IUPAC name of 1-[[5-(difluoromethoxy)-3-pyridinyl]methyl]-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine (CID 155388764) is 1-[[5-(difluoromethoxy)-3-pyridinyl]methyl]-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 1-[[5-(difluoromethoxy)-3-pyridinyl]methyl]-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine?
The canonical SMILES for 1-[[5-(difluoromethoxy)-3-pyridinyl]methyl]-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine is Fc1cc(-c2cnc3cnn(Cc4cncc(OC(F)F)c4)c3c2)cc(F)c1F.
What is the InChIKey of 1-[[5-(difluoromethoxy)-3-pyridinyl]methyl]-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine?
The InChIKey is WOPSKDWOMGWQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F5N4O/c20-14-2-11(3-15(21)18(14)22)12-4-17-16(26-6-12)8-27-28(17)9-10-1-13(7-25-5-10)29-19(23)24/h1-8,19H,9H2.
What are the key properties of 1-[[5-(difluoromethoxy)-3-pyridinyl]methyl]-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine?
1-[[5-(difluoromethoxy)-3-pyridinyl]methyl]-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine has a molecular weight of 406.31 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(difluoromethoxy)-3-pyridinyl]methyl]-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155388764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).