N-cyclopropyl-4-[6-[3-(methoxymethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide

C28H31N5O2 — CID 57406684

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

N-cyclopropyl-4-[6-[3-(methoxymethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 57406684) has the molecular formula C28H31N5O2 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-cyclopropyl-4-[6-[3-(methoxymethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-4-[6-[3-(methoxymethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
• PubChem CID: 57406684
• Molecular Formula: C28H31N5O2
• Molecular Weight: 469.59 g/mol
• Exact Mass: 469.25
• IUPAC Name: N-cyclopropyl-4-[6-[3-(methoxymethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
• SMILES: COCc1cccc(-c2cn3c(-c4ccc(C(=O)NC5CC5)cc4)cnc3c(NCC(C)C)n2)c1
• InChI: InChI=1S/C28H31N5O2/c1-18(2)14-29-26-27-30-15-25(20-7-9-21(10-8-20)28(34)31-23-11-12-23)33(27)16-24(32-26)22-6-4-5-19(13-22)17-35-3/h4-10,13,15-16,18,23H,11-12,14,17H2,1-3H3,(H,29,32)(H,31,34)
• InChIKey: IOEKHXVUWIAKCH-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 80.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.59
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-cyclopropyl-4-[6-[3-(methoxymethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 57406684) is N-cyclopropyl-4-[6-[3-(methoxymethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide.

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

The canonical SMILES for N-cyclopropyl-4-[6-[3-(methoxymethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide is COCc1cccc(-c2cn3c(-c4ccc(C(=O)NC5CC5)cc4)cnc3c(NCC(C)C)n2)c1.

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

The InChIKey is IOEKHXVUWIAKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O2/c1-18(2)14-29-26-27-30-15-25(20-7-9-21(10-8-20)28(34)31-23-11-12-23)33(27)16-24(32-26)22-6-4-5-19(13-22)17-35-3/h4-10,13,15-16,18,23H,11-12,14,17H2,1-3H3,(H,29,32)(H,31,34).

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

N-cyclopropyl-4-[6-[3-(methoxymethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 469.59 g/mol, XLogP of 5.17, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-[6-[3-(methoxymethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 57406684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).