N-[6-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ylsulfanyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide

C24H21ClN6O4S2 — CID 176908434

About N-[6-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ylsulfanyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide

N-[6-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ylsulfanyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide (PubChem CID 176908434) has the molecular formula C24H21ClN6O4S2 and a molecular weight of 557.06 g/mol. Its IUPAC name is N-[6-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ylsulfanyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ylsulfanyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide
• PubChem CID: 176908434
• Molecular Formula: C24H21ClN6O4S2
• Molecular Weight: 557.06 g/mol
• Exact Mass: 556.08
• IUPAC Name: N-[6-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ylsulfanyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide
• SMILES: COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nc2ncc(SC3COC4OCCC43)nc2s1
• InChI: InChI=1S/C24H21ClN6O4S2/c1-11-5-13(14-6-18(25)27-8-16(14)33-2)15(7-26-11)21(32)31-24-30-20-22(37-24)29-19(9-28-20)36-17-10-35-23-12(17)3-4-34-23/h5-9,12,17,23H,3-4,10H2,1-2H3,(H,28,30,31,32)
• InChIKey: FLQXDMAMRSULPD-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 121.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.06
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ylsulfanyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide?

The IUPAC name of N-[6-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ylsulfanyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide (CID 176908434) is N-[6-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ylsulfanyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide.

What is the SMILES notation for N-[6-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ylsulfanyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide?

The canonical SMILES for N-[6-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ylsulfanyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide is COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nc2ncc(SC3COC4OCCC43)nc2s1.

What is the InChIKey of N-[6-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ylsulfanyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide?

The InChIKey is FLQXDMAMRSULPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN6O4S2/c1-11-5-13(14-6-18(25)27-8-16(14)33-2)15(7-26-11)21(32)31-24-30-20-22(37-24)29-19(9-28-20)36-17-10-35-23-12(17)3-4-34-23/h5-9,12,17,23H,3-4,10H2,1-2H3,(H,28,30,31,32).

What are the key properties of N-[6-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ylsulfanyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide?

N-[6-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ylsulfanyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide has a molecular weight of 557.06 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ylsulfanyl)-[1,3]thiazolo[4,5-b]pyrazin-2-yl]-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 176908434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).