4-tert-butyl-N-[3-[8-[4-(hydroxymethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide

C30H29N5O2 — CID 11612889

About 4-tert-butyl-N-[3-[8-[4-(hydroxymethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide

4-tert-butyl-N-[3-[8-[4-(hydroxymethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide (PubChem CID 11612889) has the molecular formula C30H29N5O2 and a molecular weight of 491.60 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[8-[4-(hydroxymethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 4-tert-butyl-N-[3-[8-[4-(hydroxymethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
• PubChem CID: 11612889
• Molecular Formula: C30H29N5O2
• Molecular Weight: 491.60 g/mol
• Exact Mass: 491.23
• IUPAC Name: 4-tert-butyl-N-[3-[8-[4-(hydroxymethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
• SMILES: CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3cn4ccnc4c(Nc4ccc(CO)cc4)n3)c2)cc1
• InChI: InChI=1S/C30H29N5O2/c1-30(2,3)23-11-9-21(10-12-23)29(37)33-25-6-4-5-22(17-25)26-18-35-16-15-31-28(35)27(34-26)32-24-13-7-20(19-36)8-14-24/h4-18,36H,19H2,1-3H3,(H,32,34)(H,33,37)
• InChIKey: XRGCPQQMLPXXKQ-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 91.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.60
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[8-[4-(hydroxymethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide?

The IUPAC name of 4-tert-butyl-N-[3-[8-[4-(hydroxymethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide (CID 11612889) is 4-tert-butyl-N-[3-[8-[4-(hydroxymethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide.

What is the SMILES notation for 4-tert-butyl-N-[3-[8-[4-(hydroxymethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide?

The canonical SMILES for 4-tert-butyl-N-[3-[8-[4-(hydroxymethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3cn4ccnc4c(Nc4ccc(CO)cc4)n3)c2)cc1.

What is the InChIKey of 4-tert-butyl-N-[3-[8-[4-(hydroxymethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide?

The InChIKey is XRGCPQQMLPXXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O2/c1-30(2,3)23-11-9-21(10-12-23)29(37)33-25-6-4-5-22(17-25)26-18-35-16-15-31-28(35)27(34-26)32-24-13-7-20(19-36)8-14-24/h4-18,36H,19H2,1-3H3,(H,32,34)(H,33,37).

What are the key properties of 4-tert-butyl-N-[3-[8-[4-(hydroxymethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide?

4-tert-butyl-N-[3-[8-[4-(hydroxymethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide has a molecular weight of 491.60 g/mol, XLogP of 6.18, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-N-[3-[8-[4-(hydroxymethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide is sourced from PubChem (CID 11612889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).