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

C25H19ClF3N7O4S — CID 176833634

About 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[3-methoxy-5-(trifluoromethyl)pyrazine-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-methoxy-5-(trifluoromethyl)pyrazine-2-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide (PubChem CID 176833634) has the molecular formula C25H19ClF3N7O4S and a molecular weight of 605.99 g/mol. Its IUPAC name is 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[3-methoxy-5-(trifluoromethyl)pyrazine-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-methoxy-5-(trifluoromethyl)pyrazine-2-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide
• PubChem CID: 176833634
• Molecular Formula: C25H19ClF3N7O4S
• Molecular Weight: 605.99 g/mol
• Exact Mass: 605.09
• IUPAC Name: 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[3-methoxy-5-(trifluoromethyl)pyrazine-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(C(F)(F)F)nc1OC)C2
• InChI: InChI=1S/C25H19ClF3N7O4S/c1-11-4-12(13-5-19(26)31-7-16(13)39-2)14(6-30-11)21(37)35-24-33-15-9-36(10-17(15)41-24)23(38)20-22(40-3)34-18(8-32-20)25(27,28)29/h4-8H,9-10H2,1-3H3,(H,33,35,37)
• InChIKey: CDLJAVHCGXSDIK-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 132.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	605.99
LogP ≤ 5	4.80
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-5-(trifluoromethyl)pyrazine-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-methoxy-5-(trifluoromethyl)pyrazine-2-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide (CID 176833634) is 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[3-methoxy-5-(trifluoromethyl)pyrazine-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-methoxy-5-(trifluoromethyl)pyrazine-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-methoxy-5-(trifluoromethyl)pyrazine-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(C(F)(F)F)nc1OC)C2.

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

The InChIKey is CDLJAVHCGXSDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClF3N7O4S/c1-11-4-12(13-5-19(26)31-7-16(13)39-2)14(6-30-11)21(37)35-24-33-15-9-36(10-17(15)41-24)23(38)20-22(40-3)34-18(8-32-20)25(27,28)29/h4-8H,9-10H2,1-3H3,(H,33,35,37).

What are the key properties of 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[3-methoxy-5-(trifluoromethyl)pyrazine-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-methoxy-5-(trifluoromethyl)pyrazine-2-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 605.99 g/mol, XLogP of 4.80, 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-5-(trifluoromethyl)pyrazine-2-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 176833634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).