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

C21H20F3N7O3S — CID 177236449

IUPACN-cyclopropyl-2-ethylsulfonyl-6-methyl-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)NC3CC3)c(C)cnc2c1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C21H20F3N7O3S/c1-4-35(33,34)20-14(18-28-13-7-11(21(22,23)24)9-26-16(13)30(18)3)17-25-8-10(2)15(31(17)29-20)19(32)27-12-5-6-12/h7-9,12H,4-6H2,1-3H3,(H,27,32)
InChIKeyTTZLLSVVTRELQN-UHFFFAOYSA-N
MW507.50 g/mol
LogP2.69
Rot. Bonds5

About 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

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 (PubChem CID 177236449) has the molecular formula C21H20F3N7O3S and a molecular weight of 507.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-cyclopropyl-2-ethylsulfonyl-6-methyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID177236449
Molecular FormulaC21H20F3N7O3S
Molecular Weight507.50 g/mol
Exact Mass507.13
IUPAC NameN-cyclopropyl-2-ethylsulfonyl-6-methyl-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)NC3CC3)c(C)cnc2c1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C21H20F3N7O3S/c1-4-35(33,34)20-14(18-28-13-7-11(21(22,23)24)9-26-16(13)30(18)3)17-25-8-10(2)15(31(17)29-20)19(32)27-12-5-6-12/h7-9,12H,4-6H2,1-3H3,(H,27,32)
InChIKeyTTZLLSVVTRELQN-UHFFFAOYSA-N
XLogP2.69
TPSA124.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.50
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 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

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
2-methylpropyl N-[2-ethylsulfonyl-6-methyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]-N-methoxycarbamate
CID 177236044
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
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-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-[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-[(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
(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-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-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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCS(=O)(=O)c1nn2c(C(=O)NC3CC3)c(C)cnc2c1-c1nc2cc(C(F)(F)F)cnc2n1C.
What is the InChIKey of 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?
The InChIKey is TTZLLSVVTRELQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N7O3S/c1-4-35(33,34)20-14(18-28-13-7-11(21(22,23)24)9-26-16(13)30(18)3)17-25-8-10(2)15(31(17)29-20)19(32)27-12-5-6-12/h7-9,12H,4-6H2,1-3H3,(H,27,32).
What are the key properties of 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?
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 has a molecular weight of 507.50 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177236449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).