5-(3-hydroxy-N-(3-hydroxy-4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-imidazo[1,2-a]pyrimidin-2-ylanilino)-2-imidazo[1,2-a]pyridin-2-ylphenol

C37H25N9O3 — CID 170298696

About 5-(3-hydroxy-N-(3-hydroxy-4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-imidazo[1,2-a]pyrimidin-2-ylanilino)-2-imidazo[1,2-a]pyridin-2-ylphenol

5-(3-hydroxy-N-(3-hydroxy-4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-imidazo[1,2-a]pyrimidin-2-ylanilino)-2-imidazo[1,2-a]pyridin-2-ylphenol (PubChem CID 170298696) has the molecular formula C37H25N9O3 and a molecular weight of 643.67 g/mol. Its IUPAC name is 5-(3-hydroxy-N-(3-hydroxy-4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-imidazo[1,2-a]pyrimidin-2-ylanilino)-2-imidazo[1,2-a]pyridin-2-ylphenol.

Molecular Properties

• Compound Name: 5-(3-hydroxy-N-(3-hydroxy-4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-imidazo[1,2-a]pyrimidin-2-ylanilino)-2-imidazo[1,2-a]pyridin-2-ylphenol
• PubChem CID: 170298696
• Molecular Formula: C37H25N9O3
• Molecular Weight: 643.67 g/mol
• Exact Mass: 643.21
• IUPAC Name: 5-(3-hydroxy-N-(3-hydroxy-4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-imidazo[1,2-a]pyrimidin-2-ylanilino)-2-imidazo[1,2-a]pyridin-2-ylphenol
• SMILES: Oc1cc(N(c2ccc(-c3cn4cccnc4n3)c(O)c2)c2ccc(-c3cn4cccnc4n3)c(O)c2)ccc1-c1cn2ccccc2n1
• InChI: InChI=1S/C37H25N9O3/c47-32-17-23(6-9-26(32)29-20-43-14-2-1-5-35(43)40-29)46(24-7-10-27(33(48)18-24)30-21-44-15-3-12-38-36(44)41-30)25-8-11-28(34(49)19-25)31-22-45-16-4-13-39-37(45)42-31/h1-22,47-49H
• InChIKey: KSEVGTBHYQJHSG-UHFFFAOYSA-N
• XLogP: 7.01
• TPSA: 141.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	643.67
LogP ≤ 5	7.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxy-N-(3-hydroxy-4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-imidazo[1,2-a]pyrimidin-2-ylanilino)-2-imidazo[1,2-a]pyridin-2-ylphenol?

The IUPAC name of 5-(3-hydroxy-N-(3-hydroxy-4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-imidazo[1,2-a]pyrimidin-2-ylanilino)-2-imidazo[1,2-a]pyridin-2-ylphenol (CID 170298696) is 5-(3-hydroxy-N-(3-hydroxy-4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-imidazo[1,2-a]pyrimidin-2-ylanilino)-2-imidazo[1,2-a]pyridin-2-ylphenol.

What is the SMILES notation for 5-(3-hydroxy-N-(3-hydroxy-4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-imidazo[1,2-a]pyrimidin-2-ylanilino)-2-imidazo[1,2-a]pyridin-2-ylphenol?

The canonical SMILES for 5-(3-hydroxy-N-(3-hydroxy-4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-imidazo[1,2-a]pyrimidin-2-ylanilino)-2-imidazo[1,2-a]pyridin-2-ylphenol is Oc1cc(N(c2ccc(-c3cn4cccnc4n3)c(O)c2)c2ccc(-c3cn4cccnc4n3)c(O)c2)ccc1-c1cn2ccccc2n1.

What is the InChIKey of 5-(3-hydroxy-N-(3-hydroxy-4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-imidazo[1,2-a]pyrimidin-2-ylanilino)-2-imidazo[1,2-a]pyridin-2-ylphenol?

The InChIKey is KSEVGTBHYQJHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N9O3/c47-32-17-23(6-9-26(32)29-20-43-14-2-1-5-35(43)40-29)46(24-7-10-27(33(48)18-24)30-21-44-15-3-12-38-36(44)41-30)25-8-11-28(34(49)19-25)31-22-45-16-4-13-39-37(45)42-31/h1-22,47-49H.

What are the key properties of 5-(3-hydroxy-N-(3-hydroxy-4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-imidazo[1,2-a]pyrimidin-2-ylanilino)-2-imidazo[1,2-a]pyridin-2-ylphenol?

5-(3-hydroxy-N-(3-hydroxy-4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-imidazo[1,2-a]pyrimidin-2-ylanilino)-2-imidazo[1,2-a]pyridin-2-ylphenol has a molecular weight of 643.67 g/mol, XLogP of 7.01, 6 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-hydroxy-N-(3-hydroxy-4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-imidazo[1,2-a]pyrimidin-2-ylanilino)-2-imidazo[1,2-a]pyridin-2-ylphenol is sourced from PubChem (CID 170298696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).