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

C24H22ClN7O4S — CID 176834072

About 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(3-methoxy-1-methylpyrazole-4-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-(3-methoxy-1-methylpyrazole-4-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide (PubChem CID 176834072) has the molecular formula C24H22ClN7O4S and a molecular weight of 540.01 g/mol. Its IUPAC name is 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(3-methoxy-1-methylpyrazole-4-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-(3-methoxy-1-methylpyrazole-4-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide
• PubChem CID: 176834072
• Molecular Formula: C24H22ClN7O4S
• Molecular Weight: 540.01 g/mol
• Exact Mass: 539.11
• IUPAC Name: 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(3-methoxy-1-methylpyrazole-4-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)c1cn(C)nc1OC)C2
• InChI: InChI=1S/C24H22ClN7O4S/c1-12-5-13(14-6-20(25)27-8-18(14)35-3)15(7-26-12)21(33)29-24-28-17-10-32(11-19(17)37-24)23(34)16-9-31(2)30-22(16)36-4/h5-9H,10-11H2,1-4H3,(H,28,29,33)
• InChIKey: YVIVBBZGDFNXSA-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 124.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.01
LogP ≤ 5	3.72
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)-N-[5-(3-methoxy-1-methylpyrazole-4-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-(3-methoxy-1-methylpyrazole-4-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide (CID 176834072) is 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(3-methoxy-1-methylpyrazole-4-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-(3-methoxy-1-methylpyrazole-4-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-(3-methoxy-1-methylpyrazole-4-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)c1cn(C)nc1OC)C2.

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

The InChIKey is YVIVBBZGDFNXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN7O4S/c1-12-5-13(14-6-20(25)27-8-18(14)35-3)15(7-26-12)21(33)29-24-28-17-10-32(11-19(17)37-24)23(34)16-9-31(2)30-22(16)36-4/h5-9H,10-11H2,1-4H3,(H,28,29,33).

What are the key properties of 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(3-methoxy-1-methylpyrazole-4-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-(3-methoxy-1-methylpyrazole-4-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 540.01 g/mol, XLogP of 3.72, 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)-N-[5-(3-methoxy-1-methylpyrazole-4-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 176834072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).