N-cyclopropyl-2-fluoro-4-[6-(4-fluorophenyl)-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide

C27H23F2N7O — CID 67976613

About N-cyclopropyl-2-fluoro-4-[6-(4-fluorophenyl)-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide

N-cyclopropyl-2-fluoro-4-[6-(4-fluorophenyl)-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 67976613) has the molecular formula C27H23F2N7O and a molecular weight of 499.53 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-4-[6-(4-fluorophenyl)-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-2-fluoro-4-[6-(4-fluorophenyl)-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
• PubChem CID: 67976613
• Molecular Formula: C27H23F2N7O
• Molecular Weight: 499.53 g/mol
• Exact Mass: 499.19
• IUPAC Name: N-cyclopropyl-2-fluoro-4-[6-(4-fluorophenyl)-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
• SMILES: Cn1nccc1CNc1nc(-c2ccc(F)cc2)cn2c(-c3ccc(C(=O)NC4CC4)c(F)c3)cnc12
• InChI: InChI=1S/C27H23F2N7O/c1-35-20(10-11-32-35)13-30-25-26-31-14-24(36(26)15-23(34-25)16-2-5-18(28)6-3-16)17-4-9-21(22(29)12-17)27(37)33-19-7-8-19/h2-6,9-12,14-15,19H,7-8,13H2,1H3,(H,30,34)(H,33,37)
• InChIKey: MXVGLRXUNAIJGO-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 89.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.53
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-4-[6-(4-fluorophenyl)-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide?

The IUPAC name of N-cyclopropyl-2-fluoro-4-[6-(4-fluorophenyl)-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 67976613) is N-cyclopropyl-2-fluoro-4-[6-(4-fluorophenyl)-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide.

What is the SMILES notation for N-cyclopropyl-2-fluoro-4-[6-(4-fluorophenyl)-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide?

The canonical SMILES for N-cyclopropyl-2-fluoro-4-[6-(4-fluorophenyl)-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide is Cn1nccc1CNc1nc(-c2ccc(F)cc2)cn2c(-c3ccc(C(=O)NC4CC4)c(F)c3)cnc12.

What is the InChIKey of N-cyclopropyl-2-fluoro-4-[6-(4-fluorophenyl)-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide?

The InChIKey is MXVGLRXUNAIJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F2N7O/c1-35-20(10-11-32-35)13-30-25-26-31-14-24(36(26)15-23(34-25)16-2-5-18(28)6-3-16)17-4-9-21(22(29)12-17)27(37)33-19-7-8-19/h2-6,9-12,14-15,19H,7-8,13H2,1H3,(H,30,34)(H,33,37).

What are the key properties of N-cyclopropyl-2-fluoro-4-[6-(4-fluorophenyl)-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide?

N-cyclopropyl-2-fluoro-4-[6-(4-fluorophenyl)-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 499.53 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-fluoro-4-[6-(4-fluorophenyl)-8-[(2-methylpyrazol-3-yl)methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 67976613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).