methyl 3-fluoro-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate

C16H11F4N3O4 — CID 176912949

IUPACmethyl 3-fluoro-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate
SMILESCOC(=O)c1nn2ccc(Oc3ncccc3OCC(F)(F)F)cc2c1F
InChIInChI=1S/C16H11F4N3O4/c1-25-15(24)13-12(17)10-7-9(4-6-23(10)22-13)27-14-11(3-2-5-21-14)26-8-16(18,19)20/h2-7H,8H2,1H3
InChIKeyLOXFFRMHOGDSRQ-UHFFFAOYSA-N
MW385.27 g/mol
LogP3.39
Rot. Bonds5

About methyl 3-fluoro-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate

methyl 3-fluoro-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate (PubChem CID 176912949) has the molecular formula C16H11F4N3O4 and a molecular weight of 385.27 g/mol. Its IUPAC name is methyl 3-fluoro-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-fluoro-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate
PubChem CID176912949
Molecular FormulaC16H11F4N3O4
Molecular Weight385.27 g/mol
Exact Mass385.07
IUPAC Namemethyl 3-fluoro-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate
SMILESCOC(=O)c1nn2ccc(Oc3ncccc3OCC(F)(F)F)cc2c1F
InChIInChI=1S/C16H11F4N3O4/c1-25-15(24)13-12(17)10-7-9(4-6-23(10)22-13)27-14-11(3-2-5-21-14)26-8-16(18,19)20/h2-7H,8H2,1H3
InChIKeyLOXFFRMHOGDSRQ-UHFFFAOYSA-N
XLogP3.39
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-fluoro-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate with MolForge

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Related Compounds

3-fluoro-N-(3-methyl-1,1-dioxothietan-3-yl)-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 171553201
lithium 3-prop-1-en-2-yl-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate
CID 176912924
3-chloro-N-(4-methyl-1,1-dioxothian-4-yl)-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 171553236
3-(hydroxymethyl)-N-(4-methyl-1,1-dioxothian-4-yl)-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 176912957
3-formyl-N-(4-methyl-1,1-dioxothian-4-yl)-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 176912931
6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 177252850
6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1,3-benzoxazole-2-carboxamide
CID 177252901
ethyl 5-[[5-bromo-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate
CID 176912920
5-[3-(2,2-difluoroethoxy)pyrazin-2-yl]oxy-3-fluoro-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 176912934
N-(2-methylpropylsulfonyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 99775639
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-6-methyl-N-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyridine-3-carboxamide
CID 150344506
methyl 3-(2-fluorophenoxy)pyrazine-2-carboxylate
CID 141407596

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate?
The IUPAC name of methyl 3-fluoro-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate (CID 176912949) is methyl 3-fluoro-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-fluoro-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-fluoro-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate is COC(=O)c1nn2ccc(Oc3ncccc3OCC(F)(F)F)cc2c1F.
What is the InChIKey of methyl 3-fluoro-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate?
The InChIKey is LOXFFRMHOGDSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4N3O4/c1-25-15(24)13-12(17)10-7-9(4-6-23(10)22-13)27-14-11(3-2-5-21-14)26-8-16(18,19)20/h2-7H,8H2,1H3.
What are the key properties of methyl 3-fluoro-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate?
methyl 3-fluoro-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate has a molecular weight of 385.27 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate is sourced from PubChem (CID 176912949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).