1-iodo-3-[3-(4-prop-1-en-2-ylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine

C17H23IN6 — CID 58423411

IUPAC1-iodo-3-[3-(4-prop-1-en-2-ylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
SMILESC=C(C)N1CCN(C2CC(c3nc(I)c4c(N)nccn34)C2)CC1
InChIInChI=1S/C17H23IN6/c1-11(2)22-5-7-23(8-6-22)13-9-12(10-13)17-21-15(18)14-16(19)20-3-4-24(14)17/h3-4,12-13H,1,5-10H2,2H3,(H2,19,20)
InChIKeyHKAMQTPEOSUUSQ-UHFFFAOYSA-N
MW438.32 g/mol
LogP2.31
Rot. Bonds3

About 1-iodo-3-[3-(4-prop-1-en-2-ylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine

1-iodo-3-[3-(4-prop-1-en-2-ylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 58423411) has the molecular formula C17H23IN6 and a molecular weight of 438.32 g/mol. Its IUPAC name is 1-iodo-3-[3-(4-prop-1-en-2-ylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-iodo-3-[3-(4-prop-1-en-2-ylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
PubChem CID58423411
Molecular FormulaC17H23IN6
Molecular Weight438.32 g/mol
Exact Mass438.10
IUPAC Name1-iodo-3-[3-(4-prop-1-en-2-ylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
SMILESC=C(C)N1CCN(C2CC(c3nc(I)c4c(N)nccn34)C2)CC1
InChIInChI=1S/C17H23IN6/c1-11(2)22-5-7-23(8-6-22)13-9-12(10-13)17-21-15(18)14-16(19)20-3-4-24(14)17/h3-4,12-13H,1,5-10H2,2H3,(H2,19,20)
InChIKeyHKAMQTPEOSUUSQ-UHFFFAOYSA-N
XLogP2.31
TPSA62.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-iodo-3-[3-(4-prop-1-en-2-ylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-iodo-3-[3-(4-prop-1-en-2-ylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine (CID 58423411) is 1-iodo-3-[3-(4-prop-1-en-2-ylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-iodo-3-[3-(4-prop-1-en-2-ylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-iodo-3-[3-(4-prop-1-en-2-ylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine is C=C(C)N1CCN(C2CC(c3nc(I)c4c(N)nccn34)C2)CC1.
What is the InChIKey of 1-iodo-3-[3-(4-prop-1-en-2-ylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is HKAMQTPEOSUUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23IN6/c1-11(2)22-5-7-23(8-6-22)13-9-12(10-13)17-21-15(18)14-16(19)20-3-4-24(14)17/h3-4,12-13H,1,5-10H2,2H3,(H2,19,20).
What are the key properties of 1-iodo-3-[3-(4-prop-1-en-2-ylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine?
1-iodo-3-[3-(4-prop-1-en-2-ylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 438.32 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3-[3-(4-prop-1-en-2-ylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 58423411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).