N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide

C19H13BrClN5O2S — CID 171486897

About N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide

N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide (PubChem CID 171486897) has the molecular formula C19H13BrClN5O2S and a molecular weight of 490.77 g/mol. Its IUPAC name is N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide
• PubChem CID: 171486897
• Molecular Formula: C19H13BrClN5O2S
• Molecular Weight: 490.77 g/mol
• Exact Mass: 488.97
• IUPAC Name: N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide
• SMILES: COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nc2ccc(Br)nc2s1
• InChI: InChI=1S/C19H13BrClN5O2S/c1-9-5-10(11-6-16(21)23-8-14(11)28-2)12(7-22-9)17(27)26-19-24-13-3-4-15(20)25-18(13)29-19/h3-8H,1-2H3,(H,24,26,27)
• InChIKey: AGHURMWRWPKJFT-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 89.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.77
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide?

The IUPAC name of N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide (CID 171486897) is N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide.

What is the SMILES notation for N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide?

The canonical SMILES for N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide is COc1cnc(Cl)cc1-c1cc(C)ncc1C(=O)Nc1nc2ccc(Br)nc2s1.

What is the InChIKey of N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide?

The InChIKey is AGHURMWRWPKJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrClN5O2S/c1-9-5-10(11-6-16(21)23-8-14(11)28-2)12(7-22-9)17(27)26-19-24-13-3-4-15(20)25-18(13)29-19/h3-8H,1-2H3,(H,24,26,27).

What are the key properties of N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide?

N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide has a molecular weight of 490.77 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-(2-chloro-5-methoxy-4-pyridinyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 171486897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).