N-ethyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide

C19H20F3N5O2 — CID 90119473

IUPACN-ethyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
SMILESCCNC(=O)c1nccc2nn(Cc3cnc(COCC(F)(F)F)c(C)c3)cc12
InChIInChI=1S/C19H20F3N5O2/c1-3-23-18(28)17-14-9-27(26-15(14)4-5-24-17)8-13-6-12(2)16(25-7-13)10-29-11-19(20,21)22/h4-7,9H,3,8,10-11H2,1-2H3,(H,23,28)
InChIKeyDMIWENPDZSHYFK-UHFFFAOYSA-N
MW407.40 g/mol
LogP3.01
Rot. Bonds7

About N-ethyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide

N-ethyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide (PubChem CID 90119473) has the molecular formula C19H20F3N5O2 and a molecular weight of 407.40 g/mol. Its IUPAC name is N-ethyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
PubChem CID90119473
Molecular FormulaC19H20F3N5O2
Molecular Weight407.40 g/mol
Exact Mass407.16
IUPAC NameN-ethyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
SMILESCCNC(=O)c1nccc2nn(Cc3cnc(COCC(F)(F)F)c(C)c3)cc12
InChIInChI=1S/C19H20F3N5O2/c1-3-23-18(28)17-14-9-27(26-15(14)4-5-24-17)8-13-6-12(2)16(25-7-13)10-29-11-19(20,21)22/h4-7,9H,3,8,10-11H2,1-2H3,(H,23,28)
InChIKeyDMIWENPDZSHYFK-UHFFFAOYSA-N
XLogP3.01
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
The IUPAC name of N-ethyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide (CID 90119473) is N-ethyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide.
What is the SMILES notation for N-ethyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
The canonical SMILES for N-ethyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide is CCNC(=O)c1nccc2nn(Cc3cnc(COCC(F)(F)F)c(C)c3)cc12.
What is the InChIKey of N-ethyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
The InChIKey is DMIWENPDZSHYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O2/c1-3-23-18(28)17-14-9-27(26-15(14)4-5-24-17)8-13-6-12(2)16(25-7-13)10-29-11-19(20,21)22/h4-7,9H,3,8,10-11H2,1-2H3,(H,23,28).
What are the key properties of N-ethyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?
N-ethyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide has a molecular weight of 407.40 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[5-methyl-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 90119473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).