N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine

C26H20N6OS — CID 58139959

About N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine

N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine (PubChem CID 58139959) has the molecular formula C26H20N6OS and a molecular weight of 464.55 g/mol. Its IUPAC name is N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

• Compound Name: N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine
• PubChem CID: 58139959
• Molecular Formula: C26H20N6OS
• Molecular Weight: 464.55 g/mol
• Exact Mass: 464.14
• IUPAC Name: N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine
• SMILES: Cc1cc(Nc2ncnc3ccc(Cc4nccs4)cc23)ccc1Oc1ccn2ccnc2c1
• InChI: InChI=1S/C26H20N6OS/c1-17-12-19(3-5-23(17)33-20-6-9-32-10-7-27-24(32)15-20)31-26-21-13-18(14-25-28-8-11-34-25)2-4-22(21)29-16-30-26/h2-13,15-16H,14H2,1H3,(H,29,30,31)
• InChIKey: CVYCVZGPVPVZNN-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 77.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.55
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine?

The IUPAC name of N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine (CID 58139959) is N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine.

What is the SMILES notation for N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine?

The canonical SMILES for N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine is Cc1cc(Nc2ncnc3ccc(Cc4nccs4)cc23)ccc1Oc1ccn2ccnc2c1.

What is the InChIKey of N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine?

The InChIKey is CVYCVZGPVPVZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6OS/c1-17-12-19(3-5-23(17)33-20-6-9-32-10-7-27-24(32)15-20)31-26-21-13-18(14-25-28-8-11-34-25)2-4-22(21)29-16-30-26/h2-13,15-16H,14H2,1H3,(H,29,30,31).

What are the key properties of N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine?

N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine has a molecular weight of 464.55 g/mol, XLogP of 6.17, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(1,3-thiazol-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 58139959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).