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

C19H15F6N7O3S — CID 177236196

About 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

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 (PubChem CID 177236196) has the molecular formula C19H15F6N7O3S and a molecular weight of 535.43 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 177236196
• Molecular Formula: C19H15F6N7O3S
• Molecular Weight: 535.43 g/mol
• Exact Mass: 535.09
• IUPAC Name: 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
• SMILES: CCS(=O)(=O)c1nn2c(C(=O)NCC(F)(F)F)ccnc2c1-c1nc2cc(C(F)(F)F)cnc2n1C
• InChI: InChI=1S/C19H15F6N7O3S/c1-3-36(34,35)17-12(15-29-10-6-9(19(23,24)25)7-27-13(10)31(15)2)14-26-5-4-11(32(14)30-17)16(33)28-8-18(20,21)22/h4-7H,3,8H2,1-2H3,(H,28,33)
• InChIKey: QOPZZIXBFXGQLL-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 124.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.43
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCS(=O)(=O)c1nn2c(C(=O)NCC(F)(F)F)ccnc2c1-c1nc2cc(C(F)(F)F)cnc2n1C.

What is the InChIKey of 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?

The InChIKey is QOPZZIXBFXGQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F6N7O3S/c1-3-36(34,35)17-12(15-29-10-6-9(19(23,24)25)7-27-13(10)31(15)2)14-26-5-4-11(32(14)30-17)16(33)28-8-18(20,21)22/h4-7H,3,8H2,1-2H3,(H,28,33).

What are the key properties of 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?

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 has a molecular weight of 535.43 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 177236196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).