1-[4-[3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone

C24H27N7O — CID 24862841

IUPAC1-[4-[3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C2CC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)C2)CC1
InChIInChI=1S/C24H27N7O/c1-15(32)29-8-10-30(11-9-29)18-12-17(13-18)24-28-21(22-23(25)26-6-7-31(22)24)20-14-16-4-2-3-5-19(16)27-20/h2-7,14,17-18,27H,8-13H2,1H3,(H2,25,26)
InChIKeyIZQGMQDZYUHBKD-UHFFFAOYSA-N
MW429.53 g/mol
LogP2.87
Rot. Bonds3

About 1-[4-[3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone

1-[4-[3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone (PubChem CID 24862841) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 1-[4-[3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone
PubChem CID24862841
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name1-[4-[3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C2CC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)C2)CC1
InChIInChI=1S/C24H27N7O/c1-15(32)29-8-10-30(11-9-29)18-12-17(13-18)24-28-21(22-23(25)26-6-7-31(22)24)20-14-16-4-2-3-5-19(16)27-20/h2-7,14,17-18,27H,8-13H2,1H3,(H2,25,26)
InChIKeyIZQGMQDZYUHBKD-UHFFFAOYSA-N
XLogP2.87
TPSA95.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone (CID 24862841) is 1-[4-[3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C2CC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)C2)CC1.
What is the InChIKey of 1-[4-[3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone?
The InChIKey is IZQGMQDZYUHBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-15(32)29-8-10-30(11-9-29)18-12-17(13-18)24-28-21(22-23(25)26-6-7-31(22)24)20-14-16-4-2-3-5-19(16)27-20/h2-7,14,17-18,27H,8-13H2,1H3,(H2,25,26).
What are the key properties of 1-[4-[3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone?
1-[4-[3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone has a molecular weight of 429.53 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 24862841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).