2-ethylsulfonyl-N-(1-methylcyclopropyl)-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine

C20H20F3N7O2S — CID 177235994

IUPAC2-ethylsulfonyl-N-(1-methylcyclopropyl)-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCS(=O)(=O)c1nn2c(NC3(C)CC3)ccnc2c1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C20H20F3N7O2S/c1-4-33(31,32)18-15(16-24-8-5-14(30(16)28-18)27-19(2)6-7-19)17-26-11-9-13(20(21,22)23)25-10-12(11)29(17)3/h5,8-10,27H,4,6-7H2,1-3H3
InChIKeyVSTUPTFGCGCTDQ-UHFFFAOYSA-N
MW479.49 g/mol
LogP3.45
Rot. Bonds5

About 2-ethylsulfonyl-N-(1-methylcyclopropyl)-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine

2-ethylsulfonyl-N-(1-methylcyclopropyl)-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 177235994) has the molecular formula C20H20F3N7O2S and a molecular weight of 479.49 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-(1-methylcyclopropyl)-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-ethylsulfonyl-N-(1-methylcyclopropyl)-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID177235994
Molecular FormulaC20H20F3N7O2S
Molecular Weight479.49 g/mol
Exact Mass479.14
IUPAC Name2-ethylsulfonyl-N-(1-methylcyclopropyl)-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCS(=O)(=O)c1nn2c(NC3(C)CC3)ccnc2c1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C20H20F3N7O2S/c1-4-33(31,32)18-15(16-24-8-5-14(30(16)28-18)27-19(2)6-7-19)17-26-11-9-13(20(21,22)23)25-10-12(11)29(17)3/h5,8-10,27H,4,6-7H2,1-3H3
InChIKeyVSTUPTFGCGCTDQ-UHFFFAOYSA-N
XLogP3.45
TPSA107.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-ethylsulfonyl-N-(1-methylcyclopropyl)-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-[[2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopropane-1-carboxylate
CID 177235810
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
N-(ethyl-methyl-oxo-λ6-sulfanylidene)-2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 177236190
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
2-ethylsulfonyl-N-(1-methylcyclopropyl)-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 177236422
N-[[7-cyclopropyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-ethyl-oxo-λ6-sulfanylidene]acetamide
CID 177235986
[[7-cyclopropyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-2-yl]-ethyl-oxo-λ6-sulfanylidene]cyanamide
CID 177235768
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-(3-ethylsulfonylpyrazolo[1,5-a]pyrimidin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 134365728
2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
CID 155738742
3-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-thiadiazole
CID 164729650
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

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-(1-methylcyclopropyl)-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-ethylsulfonyl-N-(1-methylcyclopropyl)-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 177235994) is 2-ethylsulfonyl-N-(1-methylcyclopropyl)-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-ethylsulfonyl-N-(1-methylcyclopropyl)-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-ethylsulfonyl-N-(1-methylcyclopropyl)-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine is CCS(=O)(=O)c1nn2c(NC3(C)CC3)ccnc2c1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of 2-ethylsulfonyl-N-(1-methylcyclopropyl)-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VSTUPTFGCGCTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N7O2S/c1-4-33(31,32)18-15(16-24-8-5-14(30(16)28-18)27-19(2)6-7-19)17-26-11-9-13(20(21,22)23)25-10-12(11)29(17)3/h5,8-10,27H,4,6-7H2,1-3H3.
What are the key properties of 2-ethylsulfonyl-N-(1-methylcyclopropyl)-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
2-ethylsulfonyl-N-(1-methylcyclopropyl)-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 479.49 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-(1-methylcyclopropyl)-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 177235994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).