3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]-4-fluorobenzaldehyde

C25H24FN3O3S — CID 89174039

About 3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]-4-fluorobenzaldehyde

3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]-4-fluorobenzaldehyde (PubChem CID 89174039) has the molecular formula C25H24FN3O3S and a molecular weight of 465.55 g/mol. Its IUPAC name is 3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]-4-fluorobenzaldehyde.

Molecular Properties

• Compound Name: 3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]-4-fluorobenzaldehyde
• PubChem CID: 89174039
• Molecular Formula: C25H24FN3O3S
• Molecular Weight: 465.55 g/mol
• Exact Mass: 465.15
• IUPAC Name: 3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]-4-fluorobenzaldehyde
• SMILES: CC1(C)Cc2c(sc(N3CCOCC3)c2-c2ccnc(-c3cc(C=O)ccc3F)c2)C(=O)N1
• InChI: InChI=1S/C25H24FN3O3S/c1-25(2)13-18-21(24(29-7-9-32-10-8-29)33-22(18)23(31)28-25)16-5-6-27-20(12-16)17-11-15(14-30)3-4-19(17)26/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,28,31)
• InChIKey: ZAVTWIOCRVGLCW-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.55
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]-4-fluorobenzaldehyde?

The IUPAC name of 3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]-4-fluorobenzaldehyde (CID 89174039) is 3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]-4-fluorobenzaldehyde.

What is the SMILES notation for 3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]-4-fluorobenzaldehyde?

The canonical SMILES for 3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]-4-fluorobenzaldehyde is CC1(C)Cc2c(sc(N3CCOCC3)c2-c2ccnc(-c3cc(C=O)ccc3F)c2)C(=O)N1.

What is the InChIKey of 3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]-4-fluorobenzaldehyde?

The InChIKey is ZAVTWIOCRVGLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3S/c1-25(2)13-18-21(24(29-7-9-32-10-8-29)33-22(18)23(31)28-25)16-5-6-27-20(12-16)17-11-15(14-30)3-4-19(17)26/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,28,31).

What are the key properties of 3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]-4-fluorobenzaldehyde?

3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]-4-fluorobenzaldehyde has a molecular weight of 465.55 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]-4-fluorobenzaldehyde is sourced from PubChem (CID 89174039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).