1-[(2-methoxy-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine

C20H15F3N4O — CID 155388748

IUPAC1-[(2-methoxy-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine
SMILESCOc1ncccc1Cn1ncc2ncc(-c3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C20H15F3N4O/c1-28-19-14(5-3-7-24-19)12-27-18-9-15(10-25-17(18)11-26-27)13-4-2-6-16(8-13)20(21,22)23/h2-11H,12H2,1H3
InChIKeyTZYSZLQSFJQRLX-UHFFFAOYSA-N
MW384.36 g/mol
LogP4.57
Rot. Bonds4

About 1-[(2-methoxy-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine

1-[(2-methoxy-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine (PubChem CID 155388748) has the molecular formula C20H15F3N4O and a molecular weight of 384.36 g/mol. Its IUPAC name is 1-[(2-methoxy-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name1-[(2-methoxy-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine
PubChem CID155388748
Molecular FormulaC20H15F3N4O
Molecular Weight384.36 g/mol
Exact Mass384.12
IUPAC Name1-[(2-methoxy-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine
SMILESCOc1ncccc1Cn1ncc2ncc(-c3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C20H15F3N4O/c1-28-19-14(5-3-7-24-19)12-27-18-9-15(10-25-17(18)11-26-27)13-4-2-6-16(8-13)20(21,22)23/h2-11H,12H2,1H3
InChIKeyTZYSZLQSFJQRLX-UHFFFAOYSA-N
XLogP4.57
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 1-[(2-methoxy-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine (CID 155388748) is 1-[(2-methoxy-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 1-[(2-methoxy-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 1-[(2-methoxy-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine is COc1ncccc1Cn1ncc2ncc(-c3cccc(C(F)(F)F)c3)cc21.
What is the InChIKey of 1-[(2-methoxy-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine?
The InChIKey is TZYSZLQSFJQRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O/c1-28-19-14(5-3-7-24-19)12-27-18-9-15(10-25-17(18)11-26-27)13-4-2-6-16(8-13)20(21,22)23/h2-11H,12H2,1H3.
What are the key properties of 1-[(2-methoxy-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine?
1-[(2-methoxy-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine has a molecular weight of 384.36 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-3-pyridinyl)methyl]-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155388748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).