2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-(1,1,1,2-tetrafluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine

C22H23F4N5OS — CID 146961634

IUPAC2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-(1,1,1,2-tetrafluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCS(=O)c1c(-c2nc3cc(C(C)(F)C(F)(F)F)ccn3n2)nn2c(C)c(C)c(C)c(C)c12
InChIInChI=1S/C22H23F4N5OS/c1-7-33(32)19-17(28-31-14(5)12(3)11(2)13(4)18(19)31)20-27-16-10-15(8-9-30(16)29-20)21(6,23)22(24,25)26/h8-10H,7H2,1-6H3
InChIKeyAKRVDEHTIBSCSI-UHFFFAOYSA-N
MW481.52 g/mol
LogP5.15
Rot. Bonds4

About 2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-(1,1,1,2-tetrafluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine

2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-(1,1,1,2-tetrafluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 146961634) has the molecular formula C22H23F4N5OS and a molecular weight of 481.52 g/mol. Its IUPAC name is 2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-(1,1,1,2-tetrafluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-(1,1,1,2-tetrafluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID146961634
Molecular FormulaC22H23F4N5OS
Molecular Weight481.52 g/mol
Exact Mass481.16
IUPAC Name2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-(1,1,1,2-tetrafluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCS(=O)c1c(-c2nc3cc(C(C)(F)C(F)(F)F)ccn3n2)nn2c(C)c(C)c(C)c(C)c12
InChIInChI=1S/C22H23F4N5OS/c1-7-33(32)19-17(28-31-14(5)12(3)11(2)13(4)18(19)31)20-27-16-10-15(8-9-30(16)29-20)21(6,23)22(24,25)26/h8-10H,7H2,1-6H3
InChIKeyAKRVDEHTIBSCSI-UHFFFAOYSA-N
XLogP5.15
TPSA64.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.52
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-(1,1,1,2-tetrafluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-(1,1,1,2-tetrafluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-(1,1,1,2-tetrafluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine (CID 146961634) is 2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-(1,1,1,2-tetrafluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-(1,1,1,2-tetrafluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-(1,1,1,2-tetrafluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine is CCS(=O)c1c(-c2nc3cc(C(C)(F)C(F)(F)F)ccn3n2)nn2c(C)c(C)c(C)c(C)c12.
What is the InChIKey of 2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-(1,1,1,2-tetrafluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is AKRVDEHTIBSCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F4N5OS/c1-7-33(32)19-17(28-31-14(5)12(3)11(2)13(4)18(19)31)20-27-16-10-15(8-9-30(16)29-20)21(6,23)22(24,25)26/h8-10H,7H2,1-6H3.
What are the key properties of 2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-(1,1,1,2-tetrafluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine?
2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-(1,1,1,2-tetrafluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 481.52 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-(1,1,1,2-tetrafluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 146961634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).