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

C15H13F3N4O — CID 138998138

IUPAC1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine
SMILESCOc1cc(C)nc(Cn2nc(C(F)(F)F)c3cnccc32)c1
InChIInChI=1S/C15H13F3N4O/c1-9-5-11(23-2)6-10(20-9)8-22-13-3-4-19-7-12(13)14(21-22)15(16,17)18/h3-7H,8H2,1-2H3
InChIKeyCGIJGJWXWUPKHX-UHFFFAOYSA-N
MW322.29 g/mol
LogP3.21
Rot. Bonds3

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

1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine (PubChem CID 138998138) has the molecular formula C15H13F3N4O and a molecular weight of 322.29 g/mol. Its IUPAC name is 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine
PubChem CID138998138
Molecular FormulaC15H13F3N4O
Molecular Weight322.29 g/mol
Exact Mass322.10
IUPAC Name1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine
SMILESCOc1cc(C)nc(Cn2nc(C(F)(F)F)c3cnccc32)c1
InChIInChI=1S/C15H13F3N4O/c1-9-5-11(23-2)6-10(20-9)8-22-13-3-4-19-7-12(13)14(21-22)15(16,17)18/h3-7H,8H2,1-2H3
InChIKeyCGIJGJWXWUPKHX-UHFFFAOYSA-N
XLogP3.21
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine?
The IUPAC name of 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine (CID 138998138) is 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine?
The canonical SMILES for 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine is COc1cc(C)nc(Cn2nc(C(F)(F)F)c3cnccc32)c1.
What is the InChIKey of 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine?
The InChIKey is CGIJGJWXWUPKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O/c1-9-5-11(23-2)6-10(20-9)8-22-13-3-4-19-7-12(13)14(21-22)15(16,17)18/h3-7H,8H2,1-2H3.
What are the key properties of 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine?
1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine has a molecular weight of 322.29 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 138998138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).