4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclohexane-1-carboxamide

C13H16IN5O — CID 66738299

IUPAC4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(c2nc(I)c3c(N)nccn23)CC1
InChIInChI=1S/C13H16IN5O/c14-10-9-11(15)17-5-6-19(9)13(18-10)8-3-1-7(2-4-8)12(16)20/h5-8H,1-4H2,(H2,15,17)(H2,16,20)
InChIKeyXUCAUOVLWQRTKE-UHFFFAOYSA-N
MW385.21 g/mol
LogP1.68
Rot. Bonds2

About 4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclohexane-1-carboxamide

4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclohexane-1-carboxamide (PubChem CID 66738299) has the molecular formula C13H16IN5O and a molecular weight of 385.21 g/mol. Its IUPAC name is 4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclohexane-1-carboxamide
PubChem CID66738299
Molecular FormulaC13H16IN5O
Molecular Weight385.21 g/mol
Exact Mass385.04
IUPAC Name4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(c2nc(I)c3c(N)nccn23)CC1
InChIInChI=1S/C13H16IN5O/c14-10-9-11(15)17-5-6-19(9)13(18-10)8-3-1-7(2-4-8)12(16)20/h5-8H,1-4H2,(H2,15,17)(H2,16,20)
InChIKeyXUCAUOVLWQRTKE-UHFFFAOYSA-N
XLogP1.68
TPSA99.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.21
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
CID 16678248
benzyl 4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate
CID 42609369
4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
CID 59133144
4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
CID 59286100
1-iodo-3-[(3S)-1-prop-2-enylpyrrolidin-3-yl]imidazo[1,5-a]pyrazin-8-amine
CID 175693251
[4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)piperidin-1-yl]-(1,3-benzothiazol-6-yl)methanone
CID 66738508
1-bromo-3-cyclopentylimidazo[1,5-a]pyrazin-8-amine
CID 71222909
CID 89039728
CID 89039728
1-bromo-3-(4-methoxycyclohexyl)imidazo[1,5-a]pyrazin-8-amine
CID 71223259
3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 84655220
[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanone
CID 44539284
4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide;methane
CID 158196554

Frequently Asked Questions

What is the IUPAC name of 4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclohexane-1-carboxamide (CID 66738299) is 4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclohexane-1-carboxamide is NC(=O)C1CCC(c2nc(I)c3c(N)nccn23)CC1.
What is the InChIKey of 4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclohexane-1-carboxamide?
The InChIKey is XUCAUOVLWQRTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16IN5O/c14-10-9-11(15)17-5-6-19(9)13(18-10)8-3-1-7(2-4-8)12(16)20/h5-8H,1-4H2,(H2,15,17)(H2,16,20).
What are the key properties of 4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclohexane-1-carboxamide?
4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclohexane-1-carboxamide has a molecular weight of 385.21 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 66738299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).