N-ethyl-2-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide

C17H16F3N5O2 — CID 90118860

IUPACN-ethyl-2-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
SMILESCCNC(=O)c1nccc2nn(Cc3cccc(OCC(F)(F)F)n3)cc12
InChIInChI=1S/C17H16F3N5O2/c1-2-21-16(26)15-12-9-25(24-13(12)6-7-22-15)8-11-4-3-5-14(23-11)27-10-17(18,19)20/h3-7,9H,2,8,10H2,1H3,(H,21,26)
InChIKeyBMFNUCUODLUFMS-UHFFFAOYSA-N
MW379.34 g/mol
LogP2.57
Rot. Bonds6

About N-ethyl-2-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide

N-ethyl-2-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide (PubChem CID 90118860) has the molecular formula C17H16F3N5O2 and a molecular weight of 379.34 g/mol. Its IUPAC name is N-ethyl-2-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
PubChem CID90118860
Molecular FormulaC17H16F3N5O2
Molecular Weight379.34 g/mol
Exact Mass379.13
IUPAC NameN-ethyl-2-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
SMILESCCNC(=O)c1nccc2nn(Cc3cccc(OCC(F)(F)F)n3)cc12
InChIInChI=1S/C17H16F3N5O2/c1-2-21-16(26)15-12-9-25(24-13(12)6-7-22-15)8-11-4-3-5-14(23-11)27-10-17(18,19)20/h3-7,9H,2,8,10H2,1H3,(H,21,26)
InChIKeyBMFNUCUODLUFMS-UHFFFAOYSA-N
XLogP2.57
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
The IUPAC name of N-ethyl-2-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide (CID 90118860) is N-ethyl-2-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide.
What is the SMILES notation for N-ethyl-2-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
The canonical SMILES for N-ethyl-2-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide is CCNC(=O)c1nccc2nn(Cc3cccc(OCC(F)(F)F)n3)cc12.
What is the InChIKey of N-ethyl-2-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
The InChIKey is BMFNUCUODLUFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O2/c1-2-21-16(26)15-12-9-25(24-13(12)6-7-22-15)8-11-4-3-5-14(23-11)27-10-17(18,19)20/h3-7,9H,2,8,10H2,1H3,(H,21,26).
What are the key properties of N-ethyl-2-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
N-ethyl-2-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide has a molecular weight of 379.34 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 90118860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).