2-(3-ethylsulfonyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine

C19H20F5N5O2S — CID 139444921

IUPAC2-(3-ethylsulfonyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nn2c1CCC(C)C2
InChIInChI=1S/C19H20F5N5O2S/c1-4-32(30,31)15-13-6-5-10(2)9-29(13)27-14(15)17-26-12-7-11(8-25-16(12)28(17)3)18(20,21)19(22,23)24/h7-8,10H,4-6,9H2,1-3H3
InChIKeyYOLISDGHBUWJKH-UHFFFAOYSA-N
MW477.46 g/mol
LogP3.86
Rot. Bonds4

About 2-(3-ethylsulfonyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine

2-(3-ethylsulfonyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine (PubChem CID 139444921) has the molecular formula C19H20F5N5O2S and a molecular weight of 477.46 g/mol. Its IUPAC name is 2-(3-ethylsulfonyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3-ethylsulfonyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine
PubChem CID139444921
Molecular FormulaC19H20F5N5O2S
Molecular Weight477.46 g/mol
Exact Mass477.13
IUPAC Name2-(3-ethylsulfonyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nn2c1CCC(C)C2
InChIInChI=1S/C19H20F5N5O2S/c1-4-32(30,31)15-13-6-5-10(2)9-29(13)27-14(15)17-26-12-7-11(8-25-16(12)28(17)3)18(20,21)19(22,23)24/h7-8,10H,4-6,9H2,1-3H3
InChIKeyYOLISDGHBUWJKH-UHFFFAOYSA-N
XLogP3.86
TPSA82.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.46
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(3-ethylsulfonyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine (CID 139444921) is 2-(3-ethylsulfonyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(3-ethylsulfonyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(3-ethylsulfonyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine is CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nn2c1CCC(C)C2.
What is the InChIKey of 2-(3-ethylsulfonyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine?
The InChIKey is YOLISDGHBUWJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F5N5O2S/c1-4-32(30,31)15-13-6-5-10(2)9-29(13)27-14(15)17-26-12-7-11(8-25-16(12)28(17)3)18(20,21)19(22,23)24/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of 2-(3-ethylsulfonyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine?
2-(3-ethylsulfonyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine has a molecular weight of 477.46 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 139444921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).