N-[[4-[8-amino-1-(6-methyl-6,7-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-(trifluoromethyl)benzamide

C30H31F3N6O — CID 143744402

About N-[[4-[8-amino-1-(6-methyl-6,7-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-(trifluoromethyl)benzamide

N-[[4-[8-amino-1-(6-methyl-6,7-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-(trifluoromethyl)benzamide (PubChem CID 143744402) has the molecular formula C30H31F3N6O and a molecular weight of 548.61 g/mol. Its IUPAC name is N-[[4-[8-amino-1-(6-methyl-6,7-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[[4-[8-amino-1-(6-methyl-6,7-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-(trifluoromethyl)benzamide
• PubChem CID: 143744402
• Molecular Formula: C30H31F3N6O
• Molecular Weight: 548.61 g/mol
• Exact Mass: 548.25
• IUPAC Name: N-[[4-[8-amino-1-(6-methyl-6,7-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-(trifluoromethyl)benzamide
• SMILES: CC1C=Cc2cc(-c3nc(C4CCC(CNC(=O)c5cccc(C(F)(F)F)c5)CC4)n4ccnc(N)c34)[nH]c2C1
• InChI: InChI=1S/C30H31F3N6O/c1-17-5-8-20-15-24(37-23(20)13-17)25-26-27(34)35-11-12-39(26)28(38-25)19-9-6-18(7-10-19)16-36-29(40)21-3-2-4-22(14-21)30(31,32)33/h2-5,8,11-12,14-15,17-19,37H,6-7,9-10,13,16H2,1H3,(H2,34,35)(H,36,40)
• InChIKey: FKLVVAURGUYXHN-UHFFFAOYSA-N
• XLogP: 6.23
• TPSA: 101.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.61
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[4-[8-amino-1-(6-methyl-6,7-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-(trifluoromethyl)benzamide?

The IUPAC name of N-[[4-[8-amino-1-(6-methyl-6,7-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-(trifluoromethyl)benzamide (CID 143744402) is N-[[4-[8-amino-1-(6-methyl-6,7-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[[4-[8-amino-1-(6-methyl-6,7-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-(trifluoromethyl)benzamide?

The canonical SMILES for N-[[4-[8-amino-1-(6-methyl-6,7-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-(trifluoromethyl)benzamide is CC1C=Cc2cc(-c3nc(C4CCC(CNC(=O)c5cccc(C(F)(F)F)c5)CC4)n4ccnc(N)c34)[nH]c2C1.

What is the InChIKey of N-[[4-[8-amino-1-(6-methyl-6,7-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-(trifluoromethyl)benzamide?

The InChIKey is FKLVVAURGUYXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F3N6O/c1-17-5-8-20-15-24(37-23(20)13-17)25-26-27(34)35-11-12-39(26)28(38-25)19-9-6-18(7-10-19)16-36-29(40)21-3-2-4-22(14-21)30(31,32)33/h2-5,8,11-12,14-15,17-19,37H,6-7,9-10,13,16H2,1H3,(H2,34,35)(H,36,40).

What are the key properties of N-[[4-[8-amino-1-(6-methyl-6,7-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-(trifluoromethyl)benzamide?

N-[[4-[8-amino-1-(6-methyl-6,7-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 548.61 g/mol, XLogP of 6.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[8-amino-1-(6-methyl-6,7-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 143744402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).