5-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-6-methyl-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide

C22H22F4N4O5S — CID 171553222

IUPAC5-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-6-methyl-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESCc1cn2nc(C(=O)NC3(C)CCS(=O)(=O)CC3)cc2cc1Oc1ncc(F)cc1OCC(F)(F)F
InChIInChI=1S/C22H22F4N4O5S/c1-13-11-30-15(8-16(29-30)19(31)28-21(2)3-5-36(32,33)6-4-21)9-17(13)35-20-18(7-14(23)10-27-20)34-12-22(24,25)26/h7-11H,3-6,12H2,1-2H3,(H,28,31)
InChIKeyAGKNOMNLPOSBPA-UHFFFAOYSA-N
MW530.50 g/mol
LogP3.61
Rot. Bonds6

About 5-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-6-methyl-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide

5-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-6-methyl-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 171553222) has the molecular formula C22H22F4N4O5S and a molecular weight of 530.50 g/mol. Its IUPAC name is 5-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-6-methyl-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-6-methyl-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
PubChem CID171553222
Molecular FormulaC22H22F4N4O5S
Molecular Weight530.50 g/mol
Exact Mass530.12
IUPAC Name5-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-6-methyl-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESCc1cn2nc(C(=O)NC3(C)CCS(=O)(=O)CC3)cc2cc1Oc1ncc(F)cc1OCC(F)(F)F
InChIInChI=1S/C22H22F4N4O5S/c1-13-11-30-15(8-16(29-30)19(31)28-21(2)3-5-36(32,33)6-4-21)9-17(13)35-20-18(7-14(23)10-27-20)34-12-22(24,25)26/h7-11H,3-6,12H2,1-2H3,(H,28,31)
InChIKeyAGKNOMNLPOSBPA-UHFFFAOYSA-N
XLogP3.61
TPSA111.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.50
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-6-methyl-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of 5-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-6-methyl-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide (CID 171553222) is 5-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-6-methyl-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-6-methyl-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for 5-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-6-methyl-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide is Cc1cn2nc(C(=O)NC3(C)CCS(=O)(=O)CC3)cc2cc1Oc1ncc(F)cc1OCC(F)(F)F.
What is the InChIKey of 5-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-6-methyl-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is AGKNOMNLPOSBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F4N4O5S/c1-13-11-30-15(8-16(29-30)19(31)28-21(2)3-5-36(32,33)6-4-21)9-17(13)35-20-18(7-14(23)10-27-20)34-12-22(24,25)26/h7-11H,3-6,12H2,1-2H3,(H,28,31).
What are the key properties of 5-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-6-methyl-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide?
5-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-6-methyl-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 530.50 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-6-methyl-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 171553222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).