5,8-bis(3-imidazo[1,2-a]pyridin-2-ylphenyl)-6,7-dihydropteridine

C32H24N8 — CID 90046118

IUPAC5,8-bis(3-imidazo[1,2-a]pyridin-2-ylphenyl)-6,7-dihydropteridine
SMILESc1cc(-c2cn3ccccc3n2)cc(N2CCN(c3cccc(-c4cn5ccccc5n4)c3)c3ncncc32)c1
InChIInChI=1S/C32H24N8/c1-3-13-37-20-27(35-30(37)11-1)23-7-5-9-25(17-23)39-15-16-40(32-29(39)19-33-22-34-32)26-10-6-8-24(18-26)28-21-38-14-4-2-12-31(38)36-28/h1-14,17-22H,15-16H2
InChIKeyMVKSSEQQMFQLEK-UHFFFAOYSA-N
MW520.60 g/mol
LogP6.40
Rot. Bonds4

About 5,8-bis(3-imidazo[1,2-a]pyridin-2-ylphenyl)-6,7-dihydropteridine

5,8-bis(3-imidazo[1,2-a]pyridin-2-ylphenyl)-6,7-dihydropteridine (PubChem CID 90046118) has the molecular formula C32H24N8 and a molecular weight of 520.60 g/mol. Its IUPAC name is 5,8-bis(3-imidazo[1,2-a]pyridin-2-ylphenyl)-6,7-dihydropteridine.

Molecular Properties

Compound Name5,8-bis(3-imidazo[1,2-a]pyridin-2-ylphenyl)-6,7-dihydropteridine
PubChem CID90046118
Molecular FormulaC32H24N8
Molecular Weight520.60 g/mol
Exact Mass520.21
IUPAC Name5,8-bis(3-imidazo[1,2-a]pyridin-2-ylphenyl)-6,7-dihydropteridine
SMILESc1cc(-c2cn3ccccc3n2)cc(N2CCN(c3cccc(-c4cn5ccccc5n4)c3)c3ncncc32)c1
InChIInChI=1S/C32H24N8/c1-3-13-37-20-27(35-30(37)11-1)23-7-5-9-25(17-23)39-15-16-40(32-29(39)19-33-22-34-32)26-10-6-8-24(18-26)28-21-38-14-4-2-12-31(38)36-28/h1-14,17-22H,15-16H2
InChIKeyMVKSSEQQMFQLEK-UHFFFAOYSA-N
XLogP6.40
TPSA66.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.60
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 5,8-bis(3-imidazo[1,2-a]pyridin-2-ylphenyl)-6,7-dihydropteridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,8-bis(3-imidazo[1,2-a]pyridin-2-ylphenyl)-6,7-dihydropteridine?
The IUPAC name of 5,8-bis(3-imidazo[1,2-a]pyridin-2-ylphenyl)-6,7-dihydropteridine (CID 90046118) is 5,8-bis(3-imidazo[1,2-a]pyridin-2-ylphenyl)-6,7-dihydropteridine.
What is the SMILES notation for 5,8-bis(3-imidazo[1,2-a]pyridin-2-ylphenyl)-6,7-dihydropteridine?
The canonical SMILES for 5,8-bis(3-imidazo[1,2-a]pyridin-2-ylphenyl)-6,7-dihydropteridine is c1cc(-c2cn3ccccc3n2)cc(N2CCN(c3cccc(-c4cn5ccccc5n4)c3)c3ncncc32)c1.
What is the InChIKey of 5,8-bis(3-imidazo[1,2-a]pyridin-2-ylphenyl)-6,7-dihydropteridine?
The InChIKey is MVKSSEQQMFQLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N8/c1-3-13-37-20-27(35-30(37)11-1)23-7-5-9-25(17-23)39-15-16-40(32-29(39)19-33-22-34-32)26-10-6-8-24(18-26)28-21-38-14-4-2-12-31(38)36-28/h1-14,17-22H,15-16H2.
What are the key properties of 5,8-bis(3-imidazo[1,2-a]pyridin-2-ylphenyl)-6,7-dihydropteridine?
5,8-bis(3-imidazo[1,2-a]pyridin-2-ylphenyl)-6,7-dihydropteridine has a molecular weight of 520.60 g/mol, XLogP of 6.40, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-bis(3-imidazo[1,2-a]pyridin-2-ylphenyl)-6,7-dihydropteridine is sourced from PubChem (CID 90046118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).