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

C17H15ClF3N5O2 — CID 90119151

IUPAC2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-N-ethylpyrazolo[4,3-c]pyridine-4-carboxamide
SMILESCCNC(=O)c1nccc2nn(Cc3cnc(OCC(F)(F)F)c(Cl)c3)cc12
InChIInChI=1S/C17H15ClF3N5O2/c1-2-22-15(27)14-11-8-26(25-13(11)3-4-23-14)7-10-5-12(18)16(24-6-10)28-9-17(19,20)21/h3-6,8H,2,7,9H2,1H3,(H,22,27)
InChIKeyZRGFAXHXPDPOON-UHFFFAOYSA-N
MW413.79 g/mol
LogP3.22
Rot. Bonds6

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

2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-N-ethylpyrazolo[4,3-c]pyridine-4-carboxamide (PubChem CID 90119151) has the molecular formula C17H15ClF3N5O2 and a molecular weight of 413.79 g/mol. Its IUPAC name is 2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-N-ethylpyrazolo[4,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-N-ethylpyrazolo[4,3-c]pyridine-4-carboxamide
PubChem CID90119151
Molecular FormulaC17H15ClF3N5O2
Molecular Weight413.79 g/mol
Exact Mass413.09
IUPAC Name2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-N-ethylpyrazolo[4,3-c]pyridine-4-carboxamide
SMILESCCNC(=O)c1nccc2nn(Cc3cnc(OCC(F)(F)F)c(Cl)c3)cc12
InChIInChI=1S/C17H15ClF3N5O2/c1-2-22-15(27)14-11-8-26(25-13(11)3-4-23-14)7-10-5-12(18)16(24-6-10)28-9-17(19,20)21/h3-6,8H,2,7,9H2,1H3,(H,22,27)
InChIKeyZRGFAXHXPDPOON-UHFFFAOYSA-N
XLogP3.22
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.79
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-N-ethylpyrazolo[4,3-c]pyridine-4-carboxamide?
The IUPAC name of 2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-N-ethylpyrazolo[4,3-c]pyridine-4-carboxamide (CID 90119151) is 2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-N-ethylpyrazolo[4,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-N-ethylpyrazolo[4,3-c]pyridine-4-carboxamide?
The canonical SMILES for 2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-N-ethylpyrazolo[4,3-c]pyridine-4-carboxamide is CCNC(=O)c1nccc2nn(Cc3cnc(OCC(F)(F)F)c(Cl)c3)cc12.
What is the InChIKey of 2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-N-ethylpyrazolo[4,3-c]pyridine-4-carboxamide?
The InChIKey is ZRGFAXHXPDPOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N5O2/c1-2-22-15(27)14-11-8-26(25-13(11)3-4-23-14)7-10-5-12(18)16(24-6-10)28-9-17(19,20)21/h3-6,8H,2,7,9H2,1H3,(H,22,27).
What are the key properties of 2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-N-ethylpyrazolo[4,3-c]pyridine-4-carboxamide?
2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-N-ethylpyrazolo[4,3-c]pyridine-4-carboxamide has a molecular weight of 413.79 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-N-ethylpyrazolo[4,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 90119151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).