2-[[6-[[5-(2-fluoropyridine-3-carbonyl)furan-2-yl]methoxymethyl]-4-morpholin-4-yl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile

C25H21FN6O4S — CID 58263883

About 2-[[6-[[5-(2-fluoropyridine-3-carbonyl)furan-2-yl]methoxymethyl]-4-morpholin-4-yl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile

2-[[6-[[5-(2-fluoropyridine-3-carbonyl)furan-2-yl]methoxymethyl]-4-morpholin-4-yl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile (PubChem CID 58263883) has the molecular formula C25H21FN6O4S and a molecular weight of 520.55 g/mol. Its IUPAC name is 2-[[6-[[5-(2-fluoropyridine-3-carbonyl)furan-2-yl]methoxymethyl]-4-morpholin-4-yl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile.

Molecular Properties

• Compound Name: 2-[[6-[[5-(2-fluoropyridine-3-carbonyl)furan-2-yl]methoxymethyl]-4-morpholin-4-yl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
• PubChem CID: 58263883
• Molecular Formula: C25H21FN6O4S
• Molecular Weight: 520.55 g/mol
• Exact Mass: 520.13
• IUPAC Name: 2-[[6-[[5-(2-fluoropyridine-3-carbonyl)furan-2-yl]methoxymethyl]-4-morpholin-4-yl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
• SMILES: N#Cc1cnc(Nc2cc(N3CCOCC3)cc(COCc3ccc(C(=O)c4cccnc4F)o3)n2)s1
• InChI: InChI=1S/C25H21FN6O4S/c26-24-20(2-1-5-28-24)23(33)21-4-3-18(36-21)15-35-14-16-10-17(32-6-8-34-9-7-32)11-22(30-16)31-25-29-13-19(12-27)37-25/h1-5,10-11,13H,6-9,14-15H2,(H,29,30,31)
• InChIKey: DIKNKXWYCXKCPG-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 126.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.55
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[[5-(2-fluoropyridine-3-carbonyl)furan-2-yl]methoxymethyl]-4-morpholin-4-yl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?

The IUPAC name of 2-[[6-[[5-(2-fluoropyridine-3-carbonyl)furan-2-yl]methoxymethyl]-4-morpholin-4-yl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile (CID 58263883) is 2-[[6-[[5-(2-fluoropyridine-3-carbonyl)furan-2-yl]methoxymethyl]-4-morpholin-4-yl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile.

What is the SMILES notation for 2-[[6-[[5-(2-fluoropyridine-3-carbonyl)furan-2-yl]methoxymethyl]-4-morpholin-4-yl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?

The canonical SMILES for 2-[[6-[[5-(2-fluoropyridine-3-carbonyl)furan-2-yl]methoxymethyl]-4-morpholin-4-yl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile is N#Cc1cnc(Nc2cc(N3CCOCC3)cc(COCc3ccc(C(=O)c4cccnc4F)o3)n2)s1.

What is the InChIKey of 2-[[6-[[5-(2-fluoropyridine-3-carbonyl)furan-2-yl]methoxymethyl]-4-morpholin-4-yl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?

The InChIKey is DIKNKXWYCXKCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6O4S/c26-24-20(2-1-5-28-24)23(33)21-4-3-18(36-21)15-35-14-16-10-17(32-6-8-34-9-7-32)11-22(30-16)31-25-29-13-19(12-27)37-25/h1-5,10-11,13H,6-9,14-15H2,(H,29,30,31).

What are the key properties of 2-[[6-[[5-(2-fluoropyridine-3-carbonyl)furan-2-yl]methoxymethyl]-4-morpholin-4-yl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?

2-[[6-[[5-(2-fluoropyridine-3-carbonyl)furan-2-yl]methoxymethyl]-4-morpholin-4-yl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile has a molecular weight of 520.55 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[[5-(2-fluoropyridine-3-carbonyl)furan-2-yl]methoxymethyl]-4-morpholin-4-yl-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 58263883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).