5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[[3-(difluoromethylsulfanylamino)phenyl]-(oxan-4-yl)methyl]-1,3-thiazole-2-carboxamide

C24H22ClF2N5O2S2 — CID 169251094

About 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[[3-(difluoromethylsulfanylamino)phenyl]-(oxan-4-yl)methyl]-1,3-thiazole-2-carboxamide

5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[[3-(difluoromethylsulfanylamino)phenyl]-(oxan-4-yl)methyl]-1,3-thiazole-2-carboxamide (PubChem CID 169251094) has the molecular formula C24H22ClF2N5O2S2 and a molecular weight of 550.06 g/mol. Its IUPAC name is 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[[3-(difluoromethylsulfanylamino)phenyl]-(oxan-4-yl)methyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[[3-(difluoromethylsulfanylamino)phenyl]-(oxan-4-yl)methyl]-1,3-thiazole-2-carboxamide
• PubChem CID: 169251094
• Molecular Formula: C24H22ClF2N5O2S2
• Molecular Weight: 550.06 g/mol
• Exact Mass: 549.09
• IUPAC Name: 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[[3-(difluoromethylsulfanylamino)phenyl]-(oxan-4-yl)methyl]-1,3-thiazole-2-carboxamide
• SMILES: O=C(NC(c1cccc(NSC(F)F)c1)C1CCOCC1)c1ncc(-c2cnn3ccc(Cl)cc23)s1
• InChI: InChI=1S/C24H22ClF2N5O2S2/c25-16-4-7-32-19(11-16)18(12-29-32)20-13-28-23(35-20)22(33)30-21(14-5-8-34-9-6-14)15-2-1-3-17(10-15)31-36-24(26)27/h1-4,7,10-14,21,24,31H,5-6,8-9H2,(H,30,33)
• InChIKey: ABWYWLKXXVWDNR-UHFFFAOYSA-N
• XLogP: 6.29
• TPSA: 80.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.06
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[[3-(difluoromethylsulfanylamino)phenyl]-(oxan-4-yl)methyl]-1,3-thiazole-2-carboxamide?

The IUPAC name of 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[[3-(difluoromethylsulfanylamino)phenyl]-(oxan-4-yl)methyl]-1,3-thiazole-2-carboxamide (CID 169251094) is 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[[3-(difluoromethylsulfanylamino)phenyl]-(oxan-4-yl)methyl]-1,3-thiazole-2-carboxamide.

What is the SMILES notation for 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[[3-(difluoromethylsulfanylamino)phenyl]-(oxan-4-yl)methyl]-1,3-thiazole-2-carboxamide?

The canonical SMILES for 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[[3-(difluoromethylsulfanylamino)phenyl]-(oxan-4-yl)methyl]-1,3-thiazole-2-carboxamide is O=C(NC(c1cccc(NSC(F)F)c1)C1CCOCC1)c1ncc(-c2cnn3ccc(Cl)cc23)s1.

What is the InChIKey of 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[[3-(difluoromethylsulfanylamino)phenyl]-(oxan-4-yl)methyl]-1,3-thiazole-2-carboxamide?

The InChIKey is ABWYWLKXXVWDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF2N5O2S2/c25-16-4-7-32-19(11-16)18(12-29-32)20-13-28-23(35-20)22(33)30-21(14-5-8-34-9-6-14)15-2-1-3-17(10-15)31-36-24(26)27/h1-4,7,10-14,21,24,31H,5-6,8-9H2,(H,30,33).

What are the key properties of 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[[3-(difluoromethylsulfanylamino)phenyl]-(oxan-4-yl)methyl]-1,3-thiazole-2-carboxamide?

5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[[3-(difluoromethylsulfanylamino)phenyl]-(oxan-4-yl)methyl]-1,3-thiazole-2-carboxamide has a molecular weight of 550.06 g/mol, XLogP of 6.29, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[[3-(difluoromethylsulfanylamino)phenyl]-(oxan-4-yl)methyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 169251094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).