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

C20H20F3N7O4S2 — CID 177236190

About 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

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 (PubChem CID 177236190) has the molecular formula C20H20F3N7O4S2 and a molecular weight of 543.55 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 177236190
• Molecular Formula: C20H20F3N7O4S2
• Molecular Weight: 543.55 g/mol
• Exact Mass: 543.10
• IUPAC Name: 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
• SMILES: CCS(=O)(=O)c1nn2c(C(=O)N=S(C)(=O)CC)ccnc2c1-c1nc2cc(C(F)(F)F)ncc2n1C
• InChI: InChI=1S/C20H20F3N7O4S2/c1-5-35(4,32)28-18(31)12-7-8-24-16-15(19(27-30(12)16)36(33,34)6-2)17-26-11-9-14(20(21,22)23)25-10-13(11)29(17)3/h7-10H,5-6H2,1-4H3
• InChIKey: LRMXEMCPDUCYRV-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 141.54 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.55
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCS(=O)(=O)c1nn2c(C(=O)N=S(C)(=O)CC)ccnc2c1-c1nc2cc(C(F)(F)F)ncc2n1C.

What is the InChIKey of 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?

The InChIKey is LRMXEMCPDUCYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N7O4S2/c1-5-35(4,32)28-18(31)12-7-8-24-16-15(19(27-30(12)16)36(33,34)6-2)17-26-11-9-14(20(21,22)23)25-10-13(11)29(17)3/h7-10H,5-6H2,1-4H3.

What are the key properties of 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?

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 has a molecular weight of 543.55 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 177236190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).