6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-(2,2,2-trifluoroethyl)imidazo[1,5-a]pyrazine-1-carboxamide

C21H14ClF5N6O4S — CID 164594300

About 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-(2,2,2-trifluoroethyl)imidazo[1,5-a]pyrazine-1-carboxamide

6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-(2,2,2-trifluoroethyl)imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 164594300) has the molecular formula C21H14ClF5N6O4S and a molecular weight of 576.89 g/mol. Its IUPAC name is 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-(2,2,2-trifluoroethyl)imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

• Compound Name: 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-(2,2,2-trifluoroethyl)imidazo[1,5-a]pyrazine-1-carboxamide
• PubChem CID: 164594300
• Molecular Formula: C21H14ClF5N6O4S
• Molecular Weight: 576.89 g/mol
• Exact Mass: 576.04
• IUPAC Name: 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-(2,2,2-trifluoroethyl)imidazo[1,5-a]pyrazine-1-carboxamide
• SMILES: COc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2cn3cnc(C(=O)NCC(F)(F)F)c3cn2)c1F
• InChI: InChI=1S/C21H14ClF5N6O4S/c1-37-20-15(4-10(22)5-29-20)38(35,36)32-12-3-2-11(23)16(17(12)24)13-7-33-9-31-18(14(33)6-28-13)19(34)30-8-21(25,26)27/h2-7,9,32H,8H2,1H3,(H,30,34)
• InChIKey: GGCBXMZNEPKYLS-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 127.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.89
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-(2,2,2-trifluoroethyl)imidazo[1,5-a]pyrazine-1-carboxamide?

The IUPAC name of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-(2,2,2-trifluoroethyl)imidazo[1,5-a]pyrazine-1-carboxamide (CID 164594300) is 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-(2,2,2-trifluoroethyl)imidazo[1,5-a]pyrazine-1-carboxamide.

What is the SMILES notation for 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-(2,2,2-trifluoroethyl)imidazo[1,5-a]pyrazine-1-carboxamide?

The canonical SMILES for 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-(2,2,2-trifluoroethyl)imidazo[1,5-a]pyrazine-1-carboxamide is COc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2cn3cnc(C(=O)NCC(F)(F)F)c3cn2)c1F.

What is the InChIKey of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-(2,2,2-trifluoroethyl)imidazo[1,5-a]pyrazine-1-carboxamide?

The InChIKey is GGCBXMZNEPKYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF5N6O4S/c1-37-20-15(4-10(22)5-29-20)38(35,36)32-12-3-2-11(23)16(17(12)24)13-7-33-9-31-18(14(33)6-28-13)19(34)30-8-21(25,26)27/h2-7,9,32H,8H2,1H3,(H,30,34).

What are the key properties of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-(2,2,2-trifluoroethyl)imidazo[1,5-a]pyrazine-1-carboxamide?

6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-(2,2,2-trifluoroethyl)imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 576.89 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-(2,2,2-trifluoroethyl)imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 164594300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).