2-chloro-N-cyclopropyl-4-[6-(4-fluorophenyl)-8-(oxolan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide

C27H25ClFN5O2 — CID 57379867

About 2-chloro-N-cyclopropyl-4-[6-(4-fluorophenyl)-8-(oxolan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide

2-chloro-N-cyclopropyl-4-[6-(4-fluorophenyl)-8-(oxolan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 57379867) has the molecular formula C27H25ClFN5O2 and a molecular weight of 505.98 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-4-[6-(4-fluorophenyl)-8-(oxolan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-cyclopropyl-4-[6-(4-fluorophenyl)-8-(oxolan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
• PubChem CID: 57379867
• Molecular Formula: C27H25ClFN5O2
• Molecular Weight: 505.98 g/mol
• Exact Mass: 505.17
• IUPAC Name: 2-chloro-N-cyclopropyl-4-[6-(4-fluorophenyl)-8-(oxolan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
• SMILES: O=C(NC1CC1)c1ccc(-c2cnc3c(NCC4CCCO4)nc(-c4ccc(F)cc4)cn23)cc1Cl
• InChI: InChI=1S/C27H25ClFN5O2/c28-22-12-17(5-10-21(22)27(35)32-19-8-9-19)24-14-31-26-25(30-13-20-2-1-11-36-20)33-23(15-34(24)26)16-3-6-18(29)7-4-16/h3-7,10,12,14-15,19-20H,1-2,8-9,11,13H2,(H,30,33)(H,32,35)
• InChIKey: XWGOUUFXKALZMM-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 80.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.98
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-chloro-N-cyclopropyl-4-[6-(4-fluorophenyl)-8-(oxolan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 57379867) is 2-chloro-N-cyclopropyl-4-[6-(4-fluorophenyl)-8-(oxolan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide.

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

The canonical SMILES for 2-chloro-N-cyclopropyl-4-[6-(4-fluorophenyl)-8-(oxolan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide is O=C(NC1CC1)c1ccc(-c2cnc3c(NCC4CCCO4)nc(-c4ccc(F)cc4)cn23)cc1Cl.

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

The InChIKey is XWGOUUFXKALZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClFN5O2/c28-22-12-17(5-10-21(22)27(35)32-19-8-9-19)24-14-31-26-25(30-13-20-2-1-11-36-20)33-23(15-34(24)26)16-3-6-18(29)7-4-16/h3-7,10,12,14-15,19-20H,1-2,8-9,11,13H2,(H,30,33)(H,32,35).

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

2-chloro-N-cyclopropyl-4-[6-(4-fluorophenyl)-8-(oxolan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 505.98 g/mol, XLogP of 5.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-cyclopropyl-4-[6-(4-fluorophenyl)-8-(oxolan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 57379867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).