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

C27H26F3N5O — CID 57382318

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

N-cyclopropyl-4-[8-(2-methylpropylamino)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 57382318) has the molecular formula C27H26F3N5O and a molecular weight of 493.53 g/mol. Its IUPAC name is N-cyclopropyl-4-[8-(2-methylpropylamino)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-4-[8-(2-methylpropylamino)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]benzamide
• PubChem CID: 57382318
• Molecular Formula: C27H26F3N5O
• Molecular Weight: 493.53 g/mol
• Exact Mass: 493.21
• IUPAC Name: N-cyclopropyl-4-[8-(2-methylpropylamino)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]benzamide
• SMILES: CC(C)CNc1nc(-c2cccc(C(F)(F)F)c2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
• InChI: InChI=1S/C27H26F3N5O/c1-16(2)13-31-24-25-32-14-23(17-6-8-18(9-7-17)26(36)33-21-10-11-21)35(25)15-22(34-24)19-4-3-5-20(12-19)27(28,29)30/h3-9,12,14-16,21H,10-11,13H2,1-2H3,(H,31,34)(H,33,36)
• InChIKey: HAWWFYIECKZXSO-UHFFFAOYSA-N
• XLogP: 6.04
• TPSA: 71.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.53
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-cyclopropyl-4-[8-(2-methylpropylamino)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 57382318) is N-cyclopropyl-4-[8-(2-methylpropylamino)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]benzamide.

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

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

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

The InChIKey is HAWWFYIECKZXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F3N5O/c1-16(2)13-31-24-25-32-14-23(17-6-8-18(9-7-17)26(36)33-21-10-11-21)35(25)15-22(34-24)19-4-3-5-20(12-19)27(28,29)30/h3-9,12,14-16,21H,10-11,13H2,1-2H3,(H,31,34)(H,33,36).

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

N-cyclopropyl-4-[8-(2-methylpropylamino)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 493.53 g/mol, XLogP of 6.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-[8-(2-methylpropylamino)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 57382318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).