4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(5-chloro-3-methylpyrazine-2-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide

C24H19Cl2N7O3S — CID 176833203

About 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(5-chloro-3-methylpyrazine-2-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide

4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(5-chloro-3-methylpyrazine-2-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide (PubChem CID 176833203) has the molecular formula C24H19Cl2N7O3S and a molecular weight of 556.44 g/mol. Its IUPAC name is 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(5-chloro-3-methylpyrazine-2-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(5-chloro-3-methylpyrazine-2-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide
• PubChem CID: 176833203
• Molecular Formula: C24H19Cl2N7O3S
• Molecular Weight: 556.44 g/mol
• Exact Mass: 555.06
• IUPAC Name: 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(5-chloro-3-methylpyrazine-2-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide
• SMILES: COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nc2c(s1)CN(C(=O)c1ncc(Cl)nc1C)C2
• InChI: InChI=1S/C24H19Cl2N7O3S/c1-11-4-13(14-5-19(25)28-7-17(14)36-3)15(6-27-11)22(34)32-24-31-16-9-33(10-18(16)37-24)23(35)21-12(2)30-20(26)8-29-21/h4-8H,9-10H2,1-3H3,(H,31,32,34)
• InChIKey: RVKCAZAFKAGCGQ-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 123.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	556.44
LogP ≤ 5	4.73
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 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(5-chloro-3-methylpyrazine-2-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide?

The IUPAC name of 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(5-chloro-3-methylpyrazine-2-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide (CID 176833203) is 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(5-chloro-3-methylpyrazine-2-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide.

What is the SMILES notation for 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(5-chloro-3-methylpyrazine-2-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide?

The canonical SMILES for 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(5-chloro-3-methylpyrazine-2-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide is COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nc2c(s1)CN(C(=O)c1ncc(Cl)nc1C)C2.

What is the InChIKey of 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(5-chloro-3-methylpyrazine-2-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide?

The InChIKey is RVKCAZAFKAGCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N7O3S/c1-11-4-13(14-5-19(25)28-7-17(14)36-3)15(6-27-11)22(34)32-24-31-16-9-33(10-18(16)37-24)23(35)21-12(2)30-20(26)8-29-21/h4-8H,9-10H2,1-3H3,(H,31,32,34).

What are the key properties of 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(5-chloro-3-methylpyrazine-2-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide?

4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(5-chloro-3-methylpyrazine-2-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 556.44 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(5-chloro-3-methylpyrazine-2-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 176833203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).