1-iodo-3-[(3S)-1-prop-2-enylpyrrolidin-3-yl]imidazo[1,5-a]pyrazin-8-amine

C13H16IN5 — CID 175693251

IUPAC1-iodo-3-[(3S)-1-prop-2-enylpyrrolidin-3-yl]imidazo[1,5-a]pyrazin-8-amine
SMILESC=CCN1CC[C@H](c2nc(I)c3c(N)nccn23)C1
InChIInChI=1S/C13H16IN5/c1-2-5-18-6-3-9(8-18)13-17-11(14)10-12(15)16-4-7-19(10)13/h2,4,7,9H,1,3,5-6,8H2,(H2,15,16)/t9-/m0/s1
InChIKeyQSOZLUPMLBZVTI-VIFPVBQESA-N
MW369.21 g/mol
LogP1.89
Rot. Bonds3

About 1-iodo-3-[(3S)-1-prop-2-enylpyrrolidin-3-yl]imidazo[1,5-a]pyrazin-8-amine

1-iodo-3-[(3S)-1-prop-2-enylpyrrolidin-3-yl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 175693251) has the molecular formula C13H16IN5 and a molecular weight of 369.21 g/mol. Its IUPAC name is 1-iodo-3-[(3S)-1-prop-2-enylpyrrolidin-3-yl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-iodo-3-[(3S)-1-prop-2-enylpyrrolidin-3-yl]imidazo[1,5-a]pyrazin-8-amine
PubChem CID175693251
Molecular FormulaC13H16IN5
Molecular Weight369.21 g/mol
Exact Mass369.05
IUPAC Name1-iodo-3-[(3S)-1-prop-2-enylpyrrolidin-3-yl]imidazo[1,5-a]pyrazin-8-amine
SMILESC=CCN1CC[C@H](c2nc(I)c3c(N)nccn23)C1
InChIInChI=1S/C13H16IN5/c1-2-5-18-6-3-9(8-18)13-17-11(14)10-12(15)16-4-7-19(10)13/h2,4,7,9H,1,3,5-6,8H2,(H2,15,16)/t9-/m0/s1
InChIKeyQSOZLUPMLBZVTI-VIFPVBQESA-N
XLogP1.89
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Imidazo(1,5-a)pyrazin-8-amine
CID 55276043
4-[4-(Pyrrolidin-1-ylmethyl)imidazol-1-yl]pyrimidine
CID 134138572
3-(Tert-butyl)-1-iodoimidazo[1,5-a]pyrazin-8-amine
CID 68263735
2-(Pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 3882199
3-Methylimidazo[2,1-f]purine
CID 10821088
IMidazo[1,5-a]pyrazin-8-aMine, 1-iodo-N-Methyl-3-(1-Methylethyl)-
CID 60196247
9-Prop-2-enylpurine
CID 66898867
9-Prop-2-enylpurin-2-amine
CID 69088462
N-methyl-N-[(2S)-3-methylbutan-2-yl]imidazo[1,5-a]pyrazin-8-amine
CID 164637699
3-(3,3-Difluoro-cyclobutyl)-1-iodo-imidazo[1,5-a]pyrazin-8-ylamine
CID 66915553
1-bromo-5-fluoro-3-[(3R)-pyrrolidin-3-yl]imidazo[1,5-a]pyrazin-8-amine
CID 121457523
1-Fluoro-3-methylimidazo[1,5-a]pyrazin-8-amine
CID 145429586

Frequently Asked Questions

What is the IUPAC name of 1-iodo-3-[(3S)-1-prop-2-enylpyrrolidin-3-yl]imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-iodo-3-[(3S)-1-prop-2-enylpyrrolidin-3-yl]imidazo[1,5-a]pyrazin-8-amine (CID 175693251) is 1-iodo-3-[(3S)-1-prop-2-enylpyrrolidin-3-yl]imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-iodo-3-[(3S)-1-prop-2-enylpyrrolidin-3-yl]imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-iodo-3-[(3S)-1-prop-2-enylpyrrolidin-3-yl]imidazo[1,5-a]pyrazin-8-amine is C=CCN1CC[C@H](c2nc(I)c3c(N)nccn23)C1.
What is the InChIKey of 1-iodo-3-[(3S)-1-prop-2-enylpyrrolidin-3-yl]imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is QSOZLUPMLBZVTI-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16IN5/c1-2-5-18-6-3-9(8-18)13-17-11(14)10-12(15)16-4-7-19(10)13/h2,4,7,9H,1,3,5-6,8H2,(H2,15,16)/t9-/m0/s1.
What are the key properties of 1-iodo-3-[(3S)-1-prop-2-enylpyrrolidin-3-yl]imidazo[1,5-a]pyrazin-8-amine?
1-iodo-3-[(3S)-1-prop-2-enylpyrrolidin-3-yl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 369.21 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3-[(3S)-1-prop-2-enylpyrrolidin-3-yl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 175693251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).