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

C22H21F3N8O5S — CID 177236412

About 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

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 (PubChem CID 177236412) has the molecular formula C22H21F3N8O5S and a molecular weight of 566.52 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 177236412
• Molecular Formula: C22H21F3N8O5S
• Molecular Weight: 566.52 g/mol
• Exact Mass: 566.13
• IUPAC Name: 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
• SMILES: CCN1OC[C@H](NC(=O)c2ccnc3c(-c4nc5cc(C(F)(F)F)cnc5n4C)c(S(=O)(=O)CC)nn23)C1=O
• InChI: InChI=1S/C22H21F3N8O5S/c1-4-32-21(35)13(10-38-32)29-19(34)14-6-7-26-17-15(20(30-33(14)17)39(36,37)5-2)18-28-12-8-11(22(23,24)25)9-27-16(12)31(18)3/h6-9,13H,4-5,10H2,1-3H3,(H,29,34)/t13-/m0/s1
• InChIKey: UAFQXYJPIAFHBI-ZDUSSCGKSA-N
• XLogP: 1.38
• TPSA: 153.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.52
LogP ≤ 5	1.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCN1OC[C@H](NC(=O)c2ccnc3c(-c4nc5cc(C(F)(F)F)cnc5n4C)c(S(=O)(=O)CC)nn23)C1=O.

What is the InChIKey of 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?

The InChIKey is UAFQXYJPIAFHBI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H21F3N8O5S/c1-4-32-21(35)13(10-38-32)29-19(34)14-6-7-26-17-15(20(30-33(14)17)39(36,37)5-2)18-28-12-8-11(22(23,24)25)9-27-16(12)31(18)3/h6-9,13H,4-5,10H2,1-3H3,(H,29,34)/t13-/m0/s1.

What are the key properties of 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?

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 has a molecular weight of 566.52 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 177236412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).