4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(8-methoxyimidazo[1,5-a]pyridine-5-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide

C27H22ClN7O4S — CID 176833760

About 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(8-methoxyimidazo[1,5-a]pyridine-5-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-(8-methoxyimidazo[1,5-a]pyridine-5-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide (PubChem CID 176833760) has the molecular formula C27H22ClN7O4S and a molecular weight of 576.04 g/mol. Its IUPAC name is 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(8-methoxyimidazo[1,5-a]pyridine-5-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-(8-methoxyimidazo[1,5-a]pyridine-5-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide
• PubChem CID: 176833760
• Molecular Formula: C27H22ClN7O4S
• Molecular Weight: 576.04 g/mol
• Exact Mass: 575.11
• IUPAC Name: 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(8-methoxyimidazo[1,5-a]pyridine-5-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)c1ccc(OC)c3cncn13)C2
• InChI: InChI=1S/C27H22ClN7O4S/c1-14-6-15(16-7-24(28)31-10-22(16)39-3)17(8-30-14)25(36)33-27-32-18-11-34(12-23(18)40-27)26(37)19-4-5-21(38-2)20-9-29-13-35(19)20/h4-10,13H,11-12H2,1-3H3,(H,32,33,36)
• InChIKey: CIBRQFFTALWPDF-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 123.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.04
LogP ≤ 5	4.64
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-(8-methoxyimidazo[1,5-a]pyridine-5-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-(8-methoxyimidazo[1,5-a]pyridine-5-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide (CID 176833760) is 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(8-methoxyimidazo[1,5-a]pyridine-5-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-(8-methoxyimidazo[1,5-a]pyridine-5-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-(8-methoxyimidazo[1,5-a]pyridine-5-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)c1ccc(OC)c3cncn13)C2.

What is the InChIKey of 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(8-methoxyimidazo[1,5-a]pyridine-5-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide?

The InChIKey is CIBRQFFTALWPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClN7O4S/c1-14-6-15(16-7-24(28)31-10-22(16)39-3)17(8-30-14)25(36)33-27-32-18-11-34(12-23(18)40-27)26(37)19-4-5-21(38-2)20-9-29-13-35(19)20/h4-10,13H,11-12H2,1-3H3,(H,32,33,36).

What are the key properties of 4-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-(8-methoxyimidazo[1,5-a]pyridine-5-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-(8-methoxyimidazo[1,5-a]pyridine-5-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 576.04 g/mol, XLogP of 4.64, 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-(8-methoxyimidazo[1,5-a]pyridine-5-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 176833760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).