4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[6-(4-oxaspiro[2.4]heptan-6-yloxy)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide

C24H21ClN6O4S — CID 176908375

About 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[6-(4-oxaspiro[2.4]heptan-6-yloxy)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide

4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[6-(4-oxaspiro[2.4]heptan-6-yloxy)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide (PubChem CID 176908375) has the molecular formula C24H21ClN6O4S and a molecular weight of 524.99 g/mol. Its IUPAC name is 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[6-(4-oxaspiro[2.4]heptan-6-yloxy)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[6-(4-oxaspiro[2.4]heptan-6-yloxy)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide
• PubChem CID: 176908375
• Molecular Formula: C24H21ClN6O4S
• Molecular Weight: 524.99 g/mol
• Exact Mass: 524.10
• IUPAC Name: 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[6-(4-oxaspiro[2.4]heptan-6-yloxy)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide
• SMILES: COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nc2ncc(OC3COC4(CC4)C3)nc2s1
• InChI: InChI=1S/C24H21ClN6O4S/c1-12-5-14(15-6-18(25)27-9-17(15)33-2)16(8-26-12)21(32)31-23-30-20-22(36-23)29-19(10-28-20)35-13-7-24(3-4-24)34-11-13/h5-6,8-10,13H,3-4,7,11H2,1-2H3,(H,28,30,31,32)
• InChIKey: LJJWKVGHVZZOEX-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 121.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.99
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[6-(4-oxaspiro[2.4]heptan-6-yloxy)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide?

The IUPAC name of 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[6-(4-oxaspiro[2.4]heptan-6-yloxy)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide (CID 176908375) is 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[6-(4-oxaspiro[2.4]heptan-6-yloxy)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide.

What is the SMILES notation for 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[6-(4-oxaspiro[2.4]heptan-6-yloxy)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide?

The canonical SMILES for 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[6-(4-oxaspiro[2.4]heptan-6-yloxy)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide is COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nc2ncc(OC3COC4(CC4)C3)nc2s1.

What is the InChIKey of 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[6-(4-oxaspiro[2.4]heptan-6-yloxy)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide?

The InChIKey is LJJWKVGHVZZOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN6O4S/c1-12-5-14(15-6-18(25)27-9-17(15)33-2)16(8-26-12)21(32)31-23-30-20-22(36-23)29-19(10-28-20)35-13-7-24(3-4-24)34-11-13/h5-6,8-10,13H,3-4,7,11H2,1-2H3,(H,28,30,31,32).

What are the key properties of 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[6-(4-oxaspiro[2.4]heptan-6-yloxy)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide?

4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[6-(4-oxaspiro[2.4]heptan-6-yloxy)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide has a molecular weight of 524.99 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-chloro-5-methoxy-4-pyridinyl)-6-methyl-N-[6-(4-oxaspiro[2.4]heptan-6-yloxy)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 176908375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).