ethyl 2-[[2-methyl-6-(trifluoromethoxymethyl)-4-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate

C18H17F3N4O3 — CID 118443143

IUPACethyl 2-[[2-methyl-6-(trifluoromethoxymethyl)-4-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate
SMILESCCOC(=O)c1nccc2nn(Cc3cc(C)nc(COC(F)(F)F)c3)cc12
InChIInChI=1S/C18H17F3N4O3/c1-3-27-17(26)16-14-9-25(24-15(14)4-5-22-16)8-12-6-11(2)23-13(7-12)10-28-18(19,20)21/h4-7,9H,3,8,10H2,1-2H3
InChIKeyPSIAZKMFBYHAPY-UHFFFAOYSA-N
MW394.35 g/mol
LogP3.40
Rot. Bonds6

About ethyl 2-[[2-methyl-6-(trifluoromethoxymethyl)-4-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate

ethyl 2-[[2-methyl-6-(trifluoromethoxymethyl)-4-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate (PubChem CID 118443143) has the molecular formula C18H17F3N4O3 and a molecular weight of 394.35 g/mol. Its IUPAC name is ethyl 2-[[2-methyl-6-(trifluoromethoxymethyl)-4-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-methyl-6-(trifluoromethoxymethyl)-4-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate
PubChem CID118443143
Molecular FormulaC18H17F3N4O3
Molecular Weight394.35 g/mol
Exact Mass394.13
IUPAC Nameethyl 2-[[2-methyl-6-(trifluoromethoxymethyl)-4-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate
SMILESCCOC(=O)c1nccc2nn(Cc3cc(C)nc(COC(F)(F)F)c3)cc12
InChIInChI=1S/C18H17F3N4O3/c1-3-27-17(26)16-14-9-25(24-15(14)4-5-22-16)8-12-6-11(2)23-13(7-12)10-28-18(19,20)21/h4-7,9H,3,8,10H2,1-2H3
InChIKeyPSIAZKMFBYHAPY-UHFFFAOYSA-N
XLogP3.40
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate
CID 118443048
ethyl 2-[[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate
CID 118443040
N-ethyl-2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
CID 90118891
2-[[4-(2,2-difluoropropoxy)-3-methylphenyl]methyl]-N-(3-hydroxypropyl)pyrazolo[4,3-c]pyridine-4-carboxamide
CID 90118695
N-ethyl-2-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
CID 90118860
ethyl 6-hydroxyisoquinoline-1-carboxylate
CID 136951521
N-(2-hydroxyethyl)-2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
CID 90118652
2-[[5-methyl-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]-N-propan-2-ylpyrazolo[4,3-c]pyridine-4-carboxamide
CID 90119078
2-propylpyrazolo[4,3-c]pyridine-4-carboxamide
CID 142768221
ethyl 2-methylpyrazolo[3,4-c]pyridine-7-carboxylate
CID 118987364
N-methyl-2-[[5-methyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
CID 90119175
N-[(2S)-1-hydroxypropan-2-yl]-2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
CID 90119273

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-methyl-6-(trifluoromethoxymethyl)-4-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate?
The IUPAC name of ethyl 2-[[2-methyl-6-(trifluoromethoxymethyl)-4-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate (CID 118443143) is ethyl 2-[[2-methyl-6-(trifluoromethoxymethyl)-4-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-[[2-methyl-6-(trifluoromethoxymethyl)-4-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-[[2-methyl-6-(trifluoromethoxymethyl)-4-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate is CCOC(=O)c1nccc2nn(Cc3cc(C)nc(COC(F)(F)F)c3)cc12.
What is the InChIKey of ethyl 2-[[2-methyl-6-(trifluoromethoxymethyl)-4-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate?
The InChIKey is PSIAZKMFBYHAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O3/c1-3-27-17(26)16-14-9-25(24-15(14)4-5-22-16)8-12-6-11(2)23-13(7-12)10-28-18(19,20)21/h4-7,9H,3,8,10H2,1-2H3.
What are the key properties of ethyl 2-[[2-methyl-6-(trifluoromethoxymethyl)-4-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate?
ethyl 2-[[2-methyl-6-(trifluoromethoxymethyl)-4-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate has a molecular weight of 394.35 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-methyl-6-(trifluoromethoxymethyl)-4-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxylate is sourced from PubChem (CID 118443143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).