N-[5-(2-fluoro-4-pyridinyl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2,3-dihydro-1,3-oxazole-4-carboxamide

C25H22FN7O3S — CID 138526767

About N-[5-(2-fluoro-4-pyridinyl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2,3-dihydro-1,3-oxazole-4-carboxamide

N-[5-(2-fluoro-4-pyridinyl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2,3-dihydro-1,3-oxazole-4-carboxamide (PubChem CID 138526767) has the molecular formula C25H22FN7O3S and a molecular weight of 519.56 g/mol. Its IUPAC name is N-[5-(2-fluoro-4-pyridinyl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2,3-dihydro-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-(2-fluoro-4-pyridinyl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2,3-dihydro-1,3-oxazole-4-carboxamide
• PubChem CID: 138526767
• Molecular Formula: C25H22FN7O3S
• Molecular Weight: 519.56 g/mol
• Exact Mass: 519.15
• IUPAC Name: N-[5-(2-fluoro-4-pyridinyl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2,3-dihydro-1,3-oxazole-4-carboxamide
• SMILES: Cc1cc(C2NC(C(=O)Nc3cc4sc(N5CCOCC5)nc4nc3-c3ccnc(F)c3)=CO2)ccn1
• InChI: InChI=1S/C25H22FN7O3S/c1-14-10-16(3-4-27-14)24-30-18(13-36-24)23(34)29-17-12-19-22(31-21(17)15-2-5-28-20(26)11-15)32-25(37-19)33-6-8-35-9-7-33/h2-5,10-13,24,30H,6-9H2,1H3,(H,29,34)
• InChIKey: RJEXWHZAEDJRMR-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 114.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.56
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	2
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 N-[5-(2-fluoro-4-pyridinyl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2,3-dihydro-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[5-(2-fluoro-4-pyridinyl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2,3-dihydro-1,3-oxazole-4-carboxamide (CID 138526767) is N-[5-(2-fluoro-4-pyridinyl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2,3-dihydro-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-[5-(2-fluoro-4-pyridinyl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2,3-dihydro-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-[5-(2-fluoro-4-pyridinyl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2,3-dihydro-1,3-oxazole-4-carboxamide is Cc1cc(C2NC(C(=O)Nc3cc4sc(N5CCOCC5)nc4nc3-c3ccnc(F)c3)=CO2)ccn1.

What is the InChIKey of N-[5-(2-fluoro-4-pyridinyl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2,3-dihydro-1,3-oxazole-4-carboxamide?

The InChIKey is RJEXWHZAEDJRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN7O3S/c1-14-10-16(3-4-27-14)24-30-18(13-36-24)23(34)29-17-12-19-22(31-21(17)15-2-5-28-20(26)11-15)32-25(37-19)33-6-8-35-9-7-33/h2-5,10-13,24,30H,6-9H2,1H3,(H,29,34).

What are the key properties of N-[5-(2-fluoro-4-pyridinyl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2,3-dihydro-1,3-oxazole-4-carboxamide?

N-[5-(2-fluoro-4-pyridinyl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2,3-dihydro-1,3-oxazole-4-carboxamide has a molecular weight of 519.56 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(2-fluoro-4-pyridinyl)-2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-2,3-dihydro-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 138526767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).