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

C18H16F3N7O4S — CID 177236099

IUPAC2-ethylsulfonyl-N-methoxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCCS(=O)(=O)c1nn2c(C(=O)NOC)ccnc2c1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C18H16F3N7O4S/c1-4-33(30,31)17-12(14-22-6-5-11(28(14)25-17)16(29)26-32-3)15-24-10-7-9(18(19,20)21)8-23-13(10)27(15)2/h5-8H,4H2,1-3H3,(H,26,29)
InChIKeyTYBVVNYWMXPQII-UHFFFAOYSA-N
MW483.43 g/mol
LogP1.78
Rot. Bonds5

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

2-ethylsulfonyl-N-methoxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 177236099) has the molecular formula C18H16F3N7O4S and a molecular weight of 483.43 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-methoxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-ethylsulfonyl-N-methoxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID177236099
Molecular FormulaC18H16F3N7O4S
Molecular Weight483.43 g/mol
Exact Mass483.09
IUPAC Name2-ethylsulfonyl-N-methoxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCCS(=O)(=O)c1nn2c(C(=O)NOC)ccnc2c1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C18H16F3N7O4S/c1-4-33(30,31)17-12(14-22-6-5-11(28(14)25-17)16(29)26-32-3)15-24-10-7-9(18(19,20)21)8-23-13(10)27(15)2/h5-8H,4H2,1-3H3,(H,26,29)
InChIKeyTYBVVNYWMXPQII-UHFFFAOYSA-N
XLogP1.78
TPSA133.37 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.43
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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
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
(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
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
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
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
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
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
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
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
2-ethylsulfonyl-N-[2-(methylamino)-2-oxoethyl]-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 177236155
methyl 1-[[2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]cyclopropane-1-carboxylate
CID 177236390

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-methoxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 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) is 2-ethylsulfonyl-N-methoxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-ethylsulfonyl-N-methoxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 2-ethylsulfonyl-N-methoxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide is CCS(=O)(=O)c1nn2c(C(=O)NOC)ccnc2c1-c1nc2cc(C(F)(F)F)cnc2n1C.
What is the InChIKey of 2-ethylsulfonyl-N-methoxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is TYBVVNYWMXPQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N7O4S/c1-4-33(30,31)17-12(14-22-6-5-11(28(14)25-17)16(29)26-32-3)15-24-10-7-9(18(19,20)21)8-23-13(10)27(15)2/h5-8H,4H2,1-3H3,(H,26,29).
What are the key properties of 2-ethylsulfonyl-N-methoxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
2-ethylsulfonyl-N-methoxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 483.43 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-methoxy-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 177236099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).