lithium 3-prop-1-en-2-yl-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate

C18H13F3LiN3O4 — CID 176912924

IUPAClithium 3-prop-1-en-2-yl-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate
SMILESC=C(C)c1c(C(=O)[O-])nn2ccc(Oc3ncccc3OCC(F)(F)F)cc12.[Li+]
InChIInChI=1S/C18H14F3N3O4.Li/c1-10(2)14-12-8-11(5-7-24(12)23-15(14)17(25)26)28-16-13(4-3-6-22-16)27-9-18(19,20)21;/h3-8H,1,9H2,2H3,(H,25,26);/q;+1/p-1
InChIKeyKMDKQWPYYCYSDM-UHFFFAOYSA-M
MW399.25 g/mol
LogP-0.14
Rot. Bonds6

About lithium 3-prop-1-en-2-yl-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate

lithium 3-prop-1-en-2-yl-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate (PubChem CID 176912924) has the molecular formula C18H13F3LiN3O4 and a molecular weight of 399.25 g/mol. Its IUPAC name is lithium 3-prop-1-en-2-yl-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate.

Molecular Properties

Compound Namelithium 3-prop-1-en-2-yl-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate
PubChem CID176912924
Molecular FormulaC18H13F3LiN3O4
Molecular Weight399.25 g/mol
Exact Mass399.10
IUPAC Namelithium 3-prop-1-en-2-yl-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate
SMILESC=C(C)c1c(C(=O)[O-])nn2ccc(Oc3ncccc3OCC(F)(F)F)cc12.[Li+]
InChIInChI=1S/C18H14F3N3O4.Li/c1-10(2)14-12-8-11(5-7-24(12)23-15(14)17(25)26)28-16-13(4-3-6-22-16)27-9-18(19,20)21;/h3-8H,1,9H2,2H3,(H,25,26);/q;+1/p-1
InChIKeyKMDKQWPYYCYSDM-UHFFFAOYSA-M
XLogP-0.14
TPSA88.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.25
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze lithium 3-prop-1-en-2-yl-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate with MolForge

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Related Compounds

methyl 3-fluoro-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate
CID 176912949
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
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
(2Z)-1-methyl-2-(2-methylpenta-1,4-dien-3-ylidene)-4-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyridine
CID 171553253
3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate
CID 6930221
3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxamide
CID 171552786
2-methyl-4-[(3-propoxy-2-pyridinyl)oxy]benzoic acid
CID 107672662

Frequently Asked Questions

What is the IUPAC name of lithium 3-prop-1-en-2-yl-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate?
The IUPAC name of 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) is lithium 3-prop-1-en-2-yl-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate.
What is the SMILES notation for lithium 3-prop-1-en-2-yl-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate?
The canonical SMILES for lithium 3-prop-1-en-2-yl-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate is C=C(C)c1c(C(=O)[O-])nn2ccc(Oc3ncccc3OCC(F)(F)F)cc12.[Li+].
What is the InChIKey of lithium 3-prop-1-en-2-yl-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate?
The InChIKey is KMDKQWPYYCYSDM-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H14F3N3O4.Li/c1-10(2)14-12-8-11(5-7-24(12)23-15(14)17(25)26)28-16-13(4-3-6-22-16)27-9-18(19,20)21;/h3-8H,1,9H2,2H3,(H,25,26);/q;+1/p-1.
What are the key properties of lithium 3-prop-1-en-2-yl-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate?
lithium 3-prop-1-en-2-yl-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate has a molecular weight of 399.25 g/mol, XLogP of -0.14, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-prop-1-en-2-yl-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate is sourced from PubChem (CID 176912924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).