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

C19H18F3N7O2S — CID 177235952

IUPAC7-(azetidin-1-yl)-2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine
SMILESCCS(=O)(=O)c1nn2c(N3CCC3)ccnc2c1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C19H18F3N7O2S/c1-3-32(30,31)18-14(16-23-6-5-13(29(16)26-18)28-7-4-8-28)17-25-12-9-11(19(20,21)22)10-24-15(12)27(17)2/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyBFXMLCRJNYJBRY-UHFFFAOYSA-N
MW465.46 g/mol
LogP2.70
Rot. Bonds4

About 7-(azetidin-1-yl)-2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine

7-(azetidin-1-yl)-2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 177235952) has the molecular formula C19H18F3N7O2S and a molecular weight of 465.46 g/mol. Its IUPAC name is 7-(azetidin-1-yl)-2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(azetidin-1-yl)-2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID177235952
Molecular FormulaC19H18F3N7O2S
Molecular Weight465.46 g/mol
Exact Mass465.12
IUPAC Name7-(azetidin-1-yl)-2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine
SMILESCCS(=O)(=O)c1nn2c(N3CCC3)ccnc2c1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C19H18F3N7O2S/c1-3-32(30,31)18-14(16-23-6-5-13(29(16)26-18)28-7-4-8-28)17-25-12-9-11(19(20,21)22)10-24-15(12)27(17)2/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyBFXMLCRJNYJBRY-UHFFFAOYSA-N
XLogP2.70
TPSA98.28 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 177235997
(3,3-difluoroazetidin-1-yl)-[2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]methanone
CID 177236252
2-ethylsulfonyl-7-methyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 177236307
2-ethylsulfonyl-N-methoxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 177236099
2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 177236196
N-[2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcyclopropanecarboxamide
CID 177235867
2-ethylsulfonyl-N-(2-methoxyethyl)-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 177236391
N-[(4S)-2-ethyl-3-oxo-1,2-oxazolidin-4-yl]-2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 177236412
2-ethylsulfonyl-6-methyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 177236373
N-cyclopropyl-2-ethylsulfonyl-6-methyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 177236449
5-(4-chlorophenyl)-2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 155738817
2-cyclopropyl-N-[[7-cyclopropyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-ethyl-oxo-λ6-sulfanylidene]acetamide
CID 177236025

Frequently Asked Questions

What is the IUPAC name of 7-(azetidin-1-yl)-2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(azetidin-1-yl)-2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine (CID 177235952) is 7-(azetidin-1-yl)-2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(azetidin-1-yl)-2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(azetidin-1-yl)-2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine is CCS(=O)(=O)c1nn2c(N3CCC3)ccnc2c1-c1nc2cc(C(F)(F)F)cnc2n1C.
What is the InChIKey of 7-(azetidin-1-yl)-2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is BFXMLCRJNYJBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N7O2S/c1-3-32(30,31)18-14(16-23-6-5-13(29(16)26-18)28-7-4-8-28)17-25-12-9-11(19(20,21)22)10-24-15(12)27(17)2/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 7-(azetidin-1-yl)-2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine?
7-(azetidin-1-yl)-2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 465.46 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(azetidin-1-yl)-2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 177235952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).