6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-5-fluoro-N-methylimidazo[1,5-a]pyridine-1-carboxamide

C21H15ClF3N5O4S — CID 164594649

About 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-5-fluoro-N-methylimidazo[1,5-a]pyridine-1-carboxamide

6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-5-fluoro-N-methylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 164594649) has the molecular formula C21H15ClF3N5O4S and a molecular weight of 525.90 g/mol. Its IUPAC name is 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-5-fluoro-N-methylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

• Compound Name: 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-5-fluoro-N-methylimidazo[1,5-a]pyridine-1-carboxamide
• PubChem CID: 164594649
• Molecular Formula: C21H15ClF3N5O4S
• Molecular Weight: 525.90 g/mol
• Exact Mass: 525.05
• IUPAC Name: 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-5-fluoro-N-methylimidazo[1,5-a]pyridine-1-carboxamide
• SMILES: CNC(=O)c1ncn2c(F)c(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)cnc4OC)c3F)ccc12
• InChI: InChI=1S/C21H15ClF3N5O4S/c1-26-20(31)18-14-6-3-11(19(25)30(14)9-28-18)16-12(23)4-5-13(17(16)24)29-35(32,33)15-7-10(22)8-27-21(15)34-2/h3-9,29H,1-2H3,(H,26,31)
• InChIKey: ZYRAGIUNEKRKPA-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 114.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.90
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-5-fluoro-N-methylimidazo[1,5-a]pyridine-1-carboxamide (CID 164594649) is 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-5-fluoro-N-methylimidazo[1,5-a]pyridine-1-carboxamide.

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

The canonical SMILES for 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-5-fluoro-N-methylimidazo[1,5-a]pyridine-1-carboxamide is CNC(=O)c1ncn2c(F)c(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)cnc4OC)c3F)ccc12.

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

The InChIKey is ZYRAGIUNEKRKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3N5O4S/c1-26-20(31)18-14-6-3-11(19(25)30(14)9-28-18)16-12(23)4-5-13(17(16)24)29-35(32,33)15-7-10(22)8-27-21(15)34-2/h3-9,29H,1-2H3,(H,26,31).

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

6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-5-fluoro-N-methylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 525.90 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-5-fluoro-N-methylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 164594649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).