4-[6-[3-(anilinomethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide

C33H34N6O — CID 123258800

About 4-[6-[3-(anilinomethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide

4-[6-[3-(anilinomethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide (PubChem CID 123258800) has the molecular formula C33H34N6O and a molecular weight of 530.68 g/mol. Its IUPAC name is 4-[6-[3-(anilinomethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide.

Molecular Properties

• Compound Name: 4-[6-[3-(anilinomethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
• PubChem CID: 123258800
• Molecular Formula: C33H34N6O
• Molecular Weight: 530.68 g/mol
• Exact Mass: 530.28
• IUPAC Name: 4-[6-[3-(anilinomethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
• SMILES: CC(C)CNc1nc(-c2cccc(CNc3ccccc3)c2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
• InChI: InChI=1S/C33H34N6O/c1-22(2)18-35-31-32-36-20-30(24-11-13-25(14-12-24)33(40)37-28-15-16-28)39(32)21-29(38-31)26-8-6-7-23(17-26)19-34-27-9-4-3-5-10-27/h3-14,17,20-22,28,34H,15-16,18-19H2,1-2H3,(H,35,38)(H,37,40)
• InChIKey: QFBVSXSLTORDMA-UHFFFAOYSA-N
• XLogP: 6.64
• TPSA: 83.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.68
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[6-[3-(anilinomethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?

The IUPAC name of 4-[6-[3-(anilinomethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide (CID 123258800) is 4-[6-[3-(anilinomethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide.

What is the SMILES notation for 4-[6-[3-(anilinomethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?

The canonical SMILES for 4-[6-[3-(anilinomethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide is CC(C)CNc1nc(-c2cccc(CNc3ccccc3)c2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12.

What is the InChIKey of 4-[6-[3-(anilinomethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?

The InChIKey is QFBVSXSLTORDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N6O/c1-22(2)18-35-31-32-36-20-30(24-11-13-25(14-12-24)33(40)37-28-15-16-28)39(32)21-29(38-31)26-8-6-7-23(17-26)19-34-27-9-4-3-5-10-27/h3-14,17,20-22,28,34H,15-16,18-19H2,1-2H3,(H,35,38)(H,37,40).

What are the key properties of 4-[6-[3-(anilinomethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?

4-[6-[3-(anilinomethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide has a molecular weight of 530.68 g/mol, XLogP of 6.64, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[3-(anilinomethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide is sourced from PubChem (CID 123258800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).