6-chloro-3-[(1R)-1-(2-imidazo[1,2-a]pyrimidin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-sulfonamide

C24H20ClN5O5S — CID 171611174

About 6-chloro-3-[(1R)-1-(2-imidazo[1,2-a]pyrimidin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-sulfonamide

6-chloro-3-[(1R)-1-(2-imidazo[1,2-a]pyrimidin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-sulfonamide (PubChem CID 171611174) has the molecular formula C24H20ClN5O5S and a molecular weight of 525.97 g/mol. Its IUPAC name is 6-chloro-3-[(1R)-1-(2-imidazo[1,2-a]pyrimidin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-sulfonamide.

Molecular Properties

• Compound Name: 6-chloro-3-[(1R)-1-(2-imidazo[1,2-a]pyrimidin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-sulfonamide
• PubChem CID: 171611174
• Molecular Formula: C24H20ClN5O5S
• Molecular Weight: 525.97 g/mol
• Exact Mass: 525.09
• IUPAC Name: 6-chloro-3-[(1R)-1-(2-imidazo[1,2-a]pyrimidin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-sulfonamide
• SMILES: Cc1cc([C@@H](C)Oc2ccc(Cl)nc2S(N)(=O)=O)c2oc(-c3cnc4nccn4c3)c(C)c(=O)c2c1
• InChI: InChI=1S/C24H20ClN5O5S/c1-12-8-16(14(3)34-18-4-5-19(25)29-23(18)36(26,32)33)22-17(9-12)20(31)13(2)21(35-22)15-10-28-24-27-6-7-30(24)11-15/h4-11,14H,1-3H3,(H2,26,32,33)/t14-/m1/s1
• InChIKey: IKZSFIKZGLIUEX-CQSZACIVSA-N
• XLogP: 3.96
• TPSA: 142.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.97
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(1R)-1-(2-imidazo[1,2-a]pyrimidin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-sulfonamide?

The IUPAC name of 6-chloro-3-[(1R)-1-(2-imidazo[1,2-a]pyrimidin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-sulfonamide (CID 171611174) is 6-chloro-3-[(1R)-1-(2-imidazo[1,2-a]pyrimidin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-sulfonamide.

What is the SMILES notation for 6-chloro-3-[(1R)-1-(2-imidazo[1,2-a]pyrimidin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-sulfonamide?

The canonical SMILES for 6-chloro-3-[(1R)-1-(2-imidazo[1,2-a]pyrimidin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-sulfonamide is Cc1cc([C@@H](C)Oc2ccc(Cl)nc2S(N)(=O)=O)c2oc(-c3cnc4nccn4c3)c(C)c(=O)c2c1.

What is the InChIKey of 6-chloro-3-[(1R)-1-(2-imidazo[1,2-a]pyrimidin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-sulfonamide?

The InChIKey is IKZSFIKZGLIUEX-CQSZACIVSA-N. The full InChI is InChI=1S/C24H20ClN5O5S/c1-12-8-16(14(3)34-18-4-5-19(25)29-23(18)36(26,32)33)22-17(9-12)20(31)13(2)21(35-22)15-10-28-24-27-6-7-30(24)11-15/h4-11,14H,1-3H3,(H2,26,32,33)/t14-/m1/s1.

What are the key properties of 6-chloro-3-[(1R)-1-(2-imidazo[1,2-a]pyrimidin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-sulfonamide?

6-chloro-3-[(1R)-1-(2-imidazo[1,2-a]pyrimidin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-sulfonamide has a molecular weight of 525.97 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-[(1R)-1-(2-imidazo[1,2-a]pyrimidin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-sulfonamide is sourced from PubChem (CID 171611174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).