2-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-N-methylpyrazolo[4,3-c]pyridine-4-carboxamide

C17H16F3N5O3 — CID 90118979

IUPAC2-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-N-methylpyrazolo[4,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1nccc2nn(Cc3cnc(OCC(F)(F)F)c(OC)c3)cc12
InChIInChI=1S/C17H16F3N5O3/c1-21-15(26)14-11-8-25(24-12(11)3-4-22-14)7-10-5-13(27-2)16(23-6-10)28-9-17(18,19)20/h3-6,8H,7,9H2,1-2H3,(H,21,26)
InChIKeyPFDJVLKWLQWKKQ-UHFFFAOYSA-N
MW395.34 g/mol
LogP2.18
Rot. Bonds6

About 2-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-N-methylpyrazolo[4,3-c]pyridine-4-carboxamide

2-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-N-methylpyrazolo[4,3-c]pyridine-4-carboxamide (PubChem CID 90118979) has the molecular formula C17H16F3N5O3 and a molecular weight of 395.34 g/mol. Its IUPAC name is 2-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-N-methylpyrazolo[4,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-N-methylpyrazolo[4,3-c]pyridine-4-carboxamide
PubChem CID90118979
Molecular FormulaC17H16F3N5O3
Molecular Weight395.34 g/mol
Exact Mass395.12
IUPAC Name2-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-N-methylpyrazolo[4,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1nccc2nn(Cc3cnc(OCC(F)(F)F)c(OC)c3)cc12
InChIInChI=1S/C17H16F3N5O3/c1-21-15(26)14-11-8-25(24-12(11)3-4-22-14)7-10-5-13(27-2)16(23-6-10)28-9-17(18,19)20/h3-6,8H,7,9H2,1-2H3,(H,21,26)
InChIKeyPFDJVLKWLQWKKQ-UHFFFAOYSA-N
XLogP2.18
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-N-methylpyrazolo[4,3-c]pyridine-4-carboxamide?
The IUPAC name of 2-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-N-methylpyrazolo[4,3-c]pyridine-4-carboxamide (CID 90118979) is 2-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-N-methylpyrazolo[4,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 2-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-N-methylpyrazolo[4,3-c]pyridine-4-carboxamide?
The canonical SMILES for 2-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-N-methylpyrazolo[4,3-c]pyridine-4-carboxamide is CNC(=O)c1nccc2nn(Cc3cnc(OCC(F)(F)F)c(OC)c3)cc12.
What is the InChIKey of 2-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-N-methylpyrazolo[4,3-c]pyridine-4-carboxamide?
The InChIKey is PFDJVLKWLQWKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O3/c1-21-15(26)14-11-8-25(24-12(11)3-4-22-14)7-10-5-13(27-2)16(23-6-10)28-9-17(18,19)20/h3-6,8H,7,9H2,1-2H3,(H,21,26).
What are the key properties of 2-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-N-methylpyrazolo[4,3-c]pyridine-4-carboxamide?
2-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-N-methylpyrazolo[4,3-c]pyridine-4-carboxamide has a molecular weight of 395.34 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-N-methylpyrazolo[4,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 90118979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).