1-(3-cyanophenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea

C26H20N8O — CID 46878990

About 1-(3-cyanophenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea

1-(3-cyanophenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea (PubChem CID 46878990) has the molecular formula C26H20N8O and a molecular weight of 460.50 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea.

Molecular Properties

• Compound Name: 1-(3-cyanophenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea
• PubChem CID: 46878990
• Molecular Formula: C26H20N8O
• Molecular Weight: 460.50 g/mol
• Exact Mass: 460.18
• IUPAC Name: 1-(3-cyanophenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea
• SMILES: N#Cc1cccc(NC(=O)Nc2cccc(-c3cn4ccnc4c(NCc4ccncc4)n3)c2)c1
• InChI: InChI=1S/C26H20N8O/c27-15-19-3-1-5-21(13-19)31-26(35)32-22-6-2-4-20(14-22)23-17-34-12-11-29-25(34)24(33-23)30-16-18-7-9-28-10-8-18/h1-14,17H,16H2,(H,30,33)(H2,31,32,35)
• InChIKey: YTRJTOGKRDTLFL-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 120.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.50
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea?

The IUPAC name of 1-(3-cyanophenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea (CID 46878990) is 1-(3-cyanophenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea.

What is the SMILES notation for 1-(3-cyanophenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea?

The canonical SMILES for 1-(3-cyanophenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea is N#Cc1cccc(NC(=O)Nc2cccc(-c3cn4ccnc4c(NCc4ccncc4)n3)c2)c1.

What is the InChIKey of 1-(3-cyanophenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea?

The InChIKey is YTRJTOGKRDTLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N8O/c27-15-19-3-1-5-21(13-19)31-26(35)32-22-6-2-4-20(14-22)23-17-34-12-11-29-25(34)24(33-23)30-16-18-7-9-28-10-8-18/h1-14,17H,16H2,(H,30,33)(H2,31,32,35).

What are the key properties of 1-(3-cyanophenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea?

1-(3-cyanophenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea has a molecular weight of 460.50 g/mol, XLogP of 4.92, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-cyanophenyl)-3-[3-[8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea is sourced from PubChem (CID 46878990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).