5-[[4-[[3-[(4-phenylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C30H24N4O3S — CID 10673545

About 5-[[4-[[3-[(4-phenylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-[[3-[(4-phenylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 10673545) has the molecular formula C30H24N4O3S and a molecular weight of 520.61 g/mol. Its IUPAC name is 5-[[4-[[3-[(4-phenylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[[4-[[3-[(4-phenylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
• PubChem CID: 10673545
• Molecular Formula: C30H24N4O3S
• Molecular Weight: 520.61 g/mol
• Exact Mass: 520.16
• IUPAC Name: 5-[[4-[[3-[(4-phenylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
• SMILES: O=C1NC(=O)C(Cc2ccc(OCc3nc4cccnc4n3Cc3ccc(-c4ccccc4)cc3)cc2)S1
• InChI: InChI=1S/C30H24N4O3S/c35-29-26(38-30(36)33-29)17-20-10-14-24(15-11-20)37-19-27-32-25-7-4-16-31-28(25)34(27)18-21-8-12-23(13-9-21)22-5-2-1-3-6-22/h1-16,26H,17-19H2,(H,33,35,36)
• InChIKey: ZCMCAEBEAGDPIZ-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 86.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.61
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[[3-[(4-phenylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

The IUPAC name of 5-[[4-[[3-[(4-phenylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 10673545) is 5-[[4-[[3-[(4-phenylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for 5-[[4-[[3-[(4-phenylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

The canonical SMILES for 5-[[4-[[3-[(4-phenylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(Cc2ccc(OCc3nc4cccnc4n3Cc3ccc(-c4ccccc4)cc3)cc2)S1.

What is the InChIKey of 5-[[4-[[3-[(4-phenylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

The InChIKey is ZCMCAEBEAGDPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O3S/c35-29-26(38-30(36)33-29)17-20-10-14-24(15-11-20)37-19-27-32-25-7-4-16-31-28(25)34(27)18-21-8-12-23(13-9-21)22-5-2-1-3-6-22/h1-16,26H,17-19H2,(H,33,35,36).

What are the key properties of 5-[[4-[[3-[(4-phenylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

5-[[4-[[3-[(4-phenylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 520.61 g/mol, XLogP of 5.62, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-[[3-[(4-phenylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 10673545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).