2-[3-ethylsulfonyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazolo[1,5-a]pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine

C21H15F6N7O2S — CID 137404632

IUPAC2-[3-ethylsulfonyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazolo[1,5-a]pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nn2cc(-n3ccc(C(F)(F)F)n3)ccc12
InChIInChI=1S/C21H15F6N7O2S/c1-3-37(35,36)17-14-5-4-12(33-7-6-15(30-33)21(25,26)27)10-34(14)31-16(17)19-29-13-8-11(20(22,23)24)9-28-18(13)32(19)2/h4-10H,3H2,1-2H3
InChIKeyQYZRRPJKMRNEGK-UHFFFAOYSA-N
MW543.45 g/mol
LogP4.30
Rot. Bonds4

About 2-[3-ethylsulfonyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazolo[1,5-a]pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine

2-[3-ethylsulfonyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazolo[1,5-a]pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 137404632) has the molecular formula C21H15F6N7O2S and a molecular weight of 543.45 g/mol. Its IUPAC name is 2-[3-ethylsulfonyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazolo[1,5-a]pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[3-ethylsulfonyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazolo[1,5-a]pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID137404632
Molecular FormulaC21H15F6N7O2S
Molecular Weight543.45 g/mol
Exact Mass543.09
IUPAC Name2-[3-ethylsulfonyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazolo[1,5-a]pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nn2cc(-n3ccc(C(F)(F)F)n3)ccc12
InChIInChI=1S/C21H15F6N7O2S/c1-3-37(35,36)17-14-5-4-12(33-7-6-15(30-33)21(25,26)27)10-34(14)31-16(17)19-29-13-8-11(20(22,23)24)9-28-18(13)32(19)2/h4-10H,3H2,1-2H3
InChIKeyQYZRRPJKMRNEGK-UHFFFAOYSA-N
XLogP4.30
TPSA99.97 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.45
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[3-ethylsulfonyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazolo[1,5-a]pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-[3-ethylsulfonyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazolo[1,5-a]pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 137404632) is 2-[3-ethylsulfonyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazolo[1,5-a]pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[3-ethylsulfonyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazolo[1,5-a]pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[3-ethylsulfonyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazolo[1,5-a]pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nn2cc(-n3ccc(C(F)(F)F)n3)ccc12.
What is the InChIKey of 2-[3-ethylsulfonyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazolo[1,5-a]pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is QYZRRPJKMRNEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F6N7O2S/c1-3-37(35,36)17-14-5-4-12(33-7-6-15(30-33)21(25,26)27)10-34(14)31-16(17)19-29-13-8-11(20(22,23)24)9-28-18(13)32(19)2/h4-10H,3H2,1-2H3.
What are the key properties of 2-[3-ethylsulfonyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazolo[1,5-a]pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
2-[3-ethylsulfonyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazolo[1,5-a]pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 543.45 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethylsulfonyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazolo[1,5-a]pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 137404632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).