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

C23H28N6O — CID 143469213

IUPACN-[[4-[8-amino-1-(4,5-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
SMILESCC(=O)NCC1CCC(c2nc(-c3cc4c([nH]3)C=CCC4)c3c(N)nccn23)CC1
InChIInChI=1S/C23H28N6O/c1-14(30)26-13-15-6-8-16(9-7-15)23-28-20(21-22(24)25-10-11-29(21)23)19-12-17-4-2-3-5-18(17)27-19/h3,5,10-12,15-16,27H,2,4,6-9,13H2,1H3,(H2,24,25)(H,26,30)
InChIKeyXZIMKHUDYOZNPU-UHFFFAOYSA-N
MW404.52 g/mol
LogP3.68
Rot. Bonds4

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

N-[[4-[8-amino-1-(4,5-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide (PubChem CID 143469213) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is N-[[4-[8-amino-1-(4,5-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[8-amino-1-(4,5-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
PubChem CID143469213
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC NameN-[[4-[8-amino-1-(4,5-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
SMILESCC(=O)NCC1CCC(c2nc(-c3cc4c([nH]3)C=CCC4)c3c(N)nccn23)CC1
InChIInChI=1S/C23H28N6O/c1-14(30)26-13-15-6-8-16(9-7-15)23-28-20(21-22(24)25-10-11-29(21)23)19-12-17-4-2-3-5-18(17)27-19/h3,5,10-12,15-16,27H,2,4,6-9,13H2,1H3,(H2,24,25)(H,26,30)
InChIKeyXZIMKHUDYOZNPU-UHFFFAOYSA-N
XLogP3.68
TPSA101.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[8-amino-1-(4,5-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide?
The IUPAC name of N-[[4-[8-amino-1-(4,5-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide (CID 143469213) is N-[[4-[8-amino-1-(4,5-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[8-amino-1-(4,5-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide?
The canonical SMILES for N-[[4-[8-amino-1-(4,5-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide is CC(=O)NCC1CCC(c2nc(-c3cc4c([nH]3)C=CCC4)c3c(N)nccn23)CC1.
What is the InChIKey of N-[[4-[8-amino-1-(4,5-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide?
The InChIKey is XZIMKHUDYOZNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-14(30)26-13-15-6-8-16(9-7-15)23-28-20(21-22(24)25-10-11-29(21)23)19-12-17-4-2-3-5-18(17)27-19/h3,5,10-12,15-16,27H,2,4,6-9,13H2,1H3,(H2,24,25)(H,26,30).
What are the key properties of N-[[4-[8-amino-1-(4,5-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide?
N-[[4-[8-amino-1-(4,5-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide has a molecular weight of 404.52 g/mol, XLogP of 3.68, 4 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-(4,5-dihydro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide is sourced from PubChem (CID 143469213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).