benzyl 4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate

C19H20IN5O2 — CID 42609369

IUPACbenzyl 4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate
SMILESNc1nccn2c(C3CCN(C(=O)OCc4ccccc4)CC3)nc(I)c12
InChIInChI=1S/C19H20IN5O2/c20-16-15-17(21)22-8-11-25(15)18(23-16)14-6-9-24(10-7-14)19(26)27-12-13-4-2-1-3-5-13/h1-5,8,11,14H,6-7,9-10,12H2,(H2,21,22)
InChIKeyPSEAUZJBUSDMHI-UHFFFAOYSA-N
MW477.31 g/mol
LogP3.43
Rot. Bonds3

About benzyl 4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate

benzyl 4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate (PubChem CID 42609369) has the molecular formula C19H20IN5O2 and a molecular weight of 477.31 g/mol. Its IUPAC name is benzyl 4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate
PubChem CID42609369
Molecular FormulaC19H20IN5O2
Molecular Weight477.31 g/mol
Exact Mass477.07
IUPAC Namebenzyl 4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate
SMILESNc1nccn2c(C3CCN(C(=O)OCc4ccccc4)CC3)nc(I)c12
InChIInChI=1S/C19H20IN5O2/c20-16-15-17(21)22-8-11-25(15)18(23-16)14-6-9-24(10-7-14)19(26)27-12-13-4-2-1-3-5-13/h1-5,8,11,14H,6-7,9-10,12H2,(H2,21,22)
InChIKeyPSEAUZJBUSDMHI-UHFFFAOYSA-N
XLogP3.43
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzyl 3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)azetidine-1-carboxylate
CID 138678996
4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)cyclohexane-1-carboxamide
CID 66738299
CID 89393072
CID 89393072
[4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)piperidin-1-yl]-(1,3-benzothiazol-6-yl)methanone
CID 66738508
benzyl (3R)-3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate
CID 86674634
benzyl N-[(1R,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamate
CID 123809376
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-(3-amino-2H-pyrrol-5-yl)piperidine-1-carboxylate
CID 159280114
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
benzyl (3R)-3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate
CID 90323689
N-[[4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
CID 11213548

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate (CID 42609369) is benzyl 4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate is Nc1nccn2c(C3CCN(C(=O)OCc4ccccc4)CC3)nc(I)c12.
What is the InChIKey of benzyl 4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate?
The InChIKey is PSEAUZJBUSDMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20IN5O2/c20-16-15-17(21)22-8-11-25(15)18(23-16)14-6-9-24(10-7-14)19(26)27-12-13-4-2-1-3-5-13/h1-5,8,11,14H,6-7,9-10,12H2,(H2,21,22).
What are the key properties of benzyl 4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate?
benzyl 4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate has a molecular weight of 477.31 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(8-amino-1-iodoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 42609369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).