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

C25H19ClF2N6O4S — CID 176832932

About 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[3-(difluoromethoxy)pyridine-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-[3-(difluoromethoxy)pyridine-2-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide (PubChem CID 176832932) has the molecular formula C25H19ClF2N6O4S and a molecular weight of 572.98 g/mol. Its IUPAC name is 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[3-(difluoromethoxy)pyridine-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-[3-(difluoromethoxy)pyridine-2-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide
• PubChem CID: 176832932
• Molecular Formula: C25H19ClF2N6O4S
• Molecular Weight: 572.98 g/mol
• Exact Mass: 572.08
• IUPAC Name: 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[3-(difluoromethoxy)pyridine-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)c1ncccc1OC(F)F)C2
• InChI: InChI=1S/C25H19ClF2N6O4S/c1-12-6-13(14-7-20(26)31-9-18(14)37-2)15(8-30-12)22(35)33-25-32-16-10-34(11-19(16)39-25)23(36)21-17(38-24(27)28)4-3-5-29-21/h3-9,24H,10-11H2,1-2H3,(H,32,33,35)
• InChIKey: ZQDIXYFAZGHTOQ-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 119.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.98
LogP ≤ 5	4.98
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-[3-(difluoromethoxy)pyridine-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-[3-(difluoromethoxy)pyridine-2-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide (CID 176832932) is 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[3-(difluoromethoxy)pyridine-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-[3-(difluoromethoxy)pyridine-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-[3-(difluoromethoxy)pyridine-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)c1ncccc1OC(F)F)C2.

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

The InChIKey is ZQDIXYFAZGHTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClF2N6O4S/c1-12-6-13(14-7-20(26)31-9-18(14)37-2)15(8-30-12)22(35)33-25-32-16-10-34(11-19(16)39-25)23(36)21-17(38-24(27)28)4-3-5-29-21/h3-9,24H,10-11H2,1-2H3,(H,32,33,35).

What are the key properties of 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[3-(difluoromethoxy)pyridine-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-[3-(difluoromethoxy)pyridine-2-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 572.98 g/mol, XLogP of 4.98, 7 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-[3-(difluoromethoxy)pyridine-2-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 176832932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).