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

C21H22F3N7O3S — CID 177236373

About 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

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 (PubChem CID 177236373) has the molecular formula C21H22F3N7O3S and a molecular weight of 509.51 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 177236373
• Molecular Formula: C21H22F3N7O3S
• Molecular Weight: 509.51 g/mol
• Exact Mass: 509.15
• IUPAC Name: 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
• SMILES: CCS(=O)(=O)c1nn2c(C(=O)NC(C)C)c(C)cnc2c1-c1nc2cc(C(F)(F)F)cnc2n1C
• InChI: InChI=1S/C21H22F3N7O3S/c1-6-35(33,34)20-14(17-25-8-11(4)15(31(17)29-20)19(32)27-10(2)3)18-28-13-7-12(21(22,23)24)9-26-16(13)30(18)5/h7-10H,6H2,1-5H3,(H,27,32)
• InChIKey: NDFIMBZASQQOCP-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 124.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.51
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCS(=O)(=O)c1nn2c(C(=O)NC(C)C)c(C)cnc2c1-c1nc2cc(C(F)(F)F)cnc2n1C.

What is the InChIKey of 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?

The InChIKey is NDFIMBZASQQOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N7O3S/c1-6-35(33,34)20-14(17-25-8-11(4)15(31(17)29-20)19(32)27-10(2)3)18-28-13-7-12(21(22,23)24)9-26-16(13)30(18)5/h7-10H,6H2,1-5H3,(H,27,32).

What are the key properties of 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?

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 has a molecular weight of 509.51 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 177236373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).