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

C26H21ClF2N6O3S — CID 176832933

About 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[5-(difluoromethyl)-4-methylpyridine-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-(difluoromethyl)-4-methylpyridine-2-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide (PubChem CID 176832933) has the molecular formula C26H21ClF2N6O3S and a molecular weight of 571.01 g/mol. Its IUPAC name is 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[5-(difluoromethyl)-4-methylpyridine-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-(difluoromethyl)-4-methylpyridine-2-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide
• PubChem CID: 176832933
• Molecular Formula: C26H21ClF2N6O3S
• Molecular Weight: 571.01 g/mol
• Exact Mass: 570.11
• IUPAC Name: 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[5-(difluoromethyl)-4-methylpyridine-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)c1cc(C)c(C(F)F)cn1)C2
• InChI: InChI=1S/C26H21ClF2N6O3S/c1-12-4-18(31-7-16(12)23(28)29)25(37)35-10-19-21(11-35)39-26(33-19)34-24(36)17-8-30-13(2)5-14(17)15-6-22(27)32-9-20(15)38-3/h4-9,23H,10-11H2,1-3H3,(H,33,34,36)
• InChIKey: XSDCXBHFQCHAIC-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 110.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.01
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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-(difluoromethyl)-4-methylpyridine-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-(difluoromethyl)-4-methylpyridine-2-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide (CID 176832933) is 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[5-(difluoromethyl)-4-methylpyridine-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-(difluoromethyl)-4-methylpyridine-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-(difluoromethyl)-4-methylpyridine-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)c1cc(C)c(C(F)F)cn1)C2.

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

The InChIKey is XSDCXBHFQCHAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClF2N6O3S/c1-12-4-18(31-7-16(12)23(28)29)25(37)35-10-19-21(11-35)39-26(33-19)34-24(36)17-8-30-13(2)5-14(17)15-6-22(27)32-9-20(15)38-3/h4-9,23H,10-11H2,1-3H3,(H,33,34,36).

What are the key properties of 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[5-(difluoromethyl)-4-methylpyridine-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-(difluoromethyl)-4-methylpyridine-2-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 571.01 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[5-(difluoromethyl)-4-methylpyridine-2-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 176832933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).