6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)-sulfinoamino]-6-fluorophenyl]-1-(methylcarbamoyl)imidazo[1,5-a]pyridine

C21H16Cl2FN5O4S — CID 175520463

About 6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)-sulfinoamino]-6-fluorophenyl]-1-(methylcarbamoyl)imidazo[1,5-a]pyridine

6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)-sulfinoamino]-6-fluorophenyl]-1-(methylcarbamoyl)imidazo[1,5-a]pyridine (PubChem CID 175520463) has the molecular formula C21H16Cl2FN5O4S and a molecular weight of 524.36 g/mol. Its IUPAC name is 6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)-sulfinoamino]-6-fluorophenyl]-1-(methylcarbamoyl)imidazo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)-sulfinoamino]-6-fluorophenyl]-1-(methylcarbamoyl)imidazo[1,5-a]pyridine
• PubChem CID: 175520463
• Molecular Formula: C21H16Cl2FN5O4S
• Molecular Weight: 524.36 g/mol
• Exact Mass: 523.03
• IUPAC Name: 6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)-sulfinoamino]-6-fluorophenyl]-1-(methylcarbamoyl)imidazo[1,5-a]pyridine
• SMILES: CNC(=O)c1ncn2cc(-c3c(F)ccc(N(c4cc(Cl)cnc4OC)S(=O)O)c3Cl)ccc12
• InChI: InChI=1S/C21H16Cl2FN5O4S/c1-25-20(30)19-15-5-3-11(9-28(15)10-27-19)17-13(24)4-6-14(18(17)23)29(34(31)32)16-7-12(22)8-26-21(16)33-2/h3-10H,1-2H3,(H,25,30)(H,31,32)
• InChIKey: OHDQFBRTRRPMND-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 109.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.36
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)-sulfinoamino]-6-fluorophenyl]-1-(methylcarbamoyl)imidazo[1,5-a]pyridine?

The IUPAC name of 6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)-sulfinoamino]-6-fluorophenyl]-1-(methylcarbamoyl)imidazo[1,5-a]pyridine (CID 175520463) is 6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)-sulfinoamino]-6-fluorophenyl]-1-(methylcarbamoyl)imidazo[1,5-a]pyridine.

What is the SMILES notation for 6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)-sulfinoamino]-6-fluorophenyl]-1-(methylcarbamoyl)imidazo[1,5-a]pyridine?

The canonical SMILES for 6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)-sulfinoamino]-6-fluorophenyl]-1-(methylcarbamoyl)imidazo[1,5-a]pyridine is CNC(=O)c1ncn2cc(-c3c(F)ccc(N(c4cc(Cl)cnc4OC)S(=O)O)c3Cl)ccc12.

What is the InChIKey of 6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)-sulfinoamino]-6-fluorophenyl]-1-(methylcarbamoyl)imidazo[1,5-a]pyridine?

The InChIKey is OHDQFBRTRRPMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2FN5O4S/c1-25-20(30)19-15-5-3-11(9-28(15)10-27-19)17-13(24)4-6-14(18(17)23)29(34(31)32)16-7-12(22)8-26-21(16)33-2/h3-10H,1-2H3,(H,25,30)(H,31,32).

What are the key properties of 6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)-sulfinoamino]-6-fluorophenyl]-1-(methylcarbamoyl)imidazo[1,5-a]pyridine?

6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)-sulfinoamino]-6-fluorophenyl]-1-(methylcarbamoyl)imidazo[1,5-a]pyridine has a molecular weight of 524.36 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-chloro-3-[(5-chloro-2-methoxy-3-pyridinyl)-sulfinoamino]-6-fluorophenyl]-1-(methylcarbamoyl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 175520463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).