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

C20H19F3N8O4S — CID 177236155

About 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

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 (PubChem CID 177236155) has the molecular formula C20H19F3N8O4S and a molecular weight of 524.49 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 177236155
• Molecular Formula: C20H19F3N8O4S
• Molecular Weight: 524.49 g/mol
• Exact Mass: 524.12
• IUPAC Name: 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
• SMILES: CCS(=O)(=O)c1nn2c(C(=O)NCC(=O)NC)ccnc2c1-c1nc2cc(C(F)(F)F)ncc2n1C
• InChI: InChI=1S/C20H19F3N8O4S/c1-4-36(34,35)19-15(17-28-10-7-13(20(21,22)23)26-8-12(10)30(17)3)16-25-6-5-11(31(16)29-19)18(33)27-9-14(32)24-2/h5-8H,4,9H2,1-3H3,(H,24,32)(H,27,33)
• InChIKey: AOOBNYVRRJUXBW-UHFFFAOYSA-N
• XLogP: 0.97
• TPSA: 153.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.49
LogP ≤ 5	0.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCS(=O)(=O)c1nn2c(C(=O)NCC(=O)NC)ccnc2c1-c1nc2cc(C(F)(F)F)ncc2n1C.

What is the InChIKey of 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?

The InChIKey is AOOBNYVRRJUXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N8O4S/c1-4-36(34,35)19-15(17-28-10-7-13(20(21,22)23)26-8-12(10)30(17)3)16-25-6-5-11(31(16)29-19)18(33)27-9-14(32)24-2/h5-8H,4,9H2,1-3H3,(H,24,32)(H,27,33).

What are the key properties of 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?

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 has a molecular weight of 524.49 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 177236155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).