[(7-benzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl)-cyclopropylmethyl] acetate

C19H23N3O2 — CID 22335359

IUPAC[(7-benzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl)-cyclopropylmethyl] acetate
SMILESCC(=O)OC(c1ncc2n1CCN(Cc1ccccc1)C2)C1CC1
InChIInChI=1S/C19H23N3O2/c1-14(23)24-18(16-7-8-16)19-20-11-17-13-21(9-10-22(17)19)12-15-5-3-2-4-6-15/h2-6,11,16,18H,7-10,12-13H2,1H3
InChIKeyGYSMQVGFFPIHIU-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.91
Rot. Bonds5

About [(7-benzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl)-cyclopropylmethyl] acetate

[(7-benzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl)-cyclopropylmethyl] acetate (PubChem CID 22335359) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is [(7-benzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl)-cyclopropylmethyl] acetate.

Molecular Properties

Compound Name[(7-benzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl)-cyclopropylmethyl] acetate
PubChem CID22335359
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name[(7-benzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl)-cyclopropylmethyl] acetate
SMILESCC(=O)OC(c1ncc2n1CCN(Cc1ccccc1)C2)C1CC1
InChIInChI=1S/C19H23N3O2/c1-14(23)24-18(16-7-8-16)19-20-11-17-13-21(9-10-22(17)19)12-15-5-3-2-4-6-15/h2-6,11,16,18H,7-10,12-13H2,1H3
InChIKeyGYSMQVGFFPIHIU-UHFFFAOYSA-N
XLogP2.91
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(3-benzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methyl]phenyl]acetamide
CID 160873477
N-(7-benzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl)-N-phenylpropanamide
CID 118173680
1-(7-benzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl)-N,N-dimethylmethanamine
CID 67242840
1-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl acetate
CID 174615690
propan-2-yl 2-(1-benzylpiperidin-4-yl)acetate
CID 83983157
propan-2-yl 1-benzylpiperidine-4-carboxylate
CID 83983156
acetyl 2-(1-benzylpiperidin-4-yl)acetate
CID 175102662
[(2S)-4-benzyl-1-methylpiperazin-2-yl] acetate
CID 66769581
N-[(7-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]cyclopropanecarboxamide
CID 97471230
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923
2-(1-benzylpiperidin-4-yl)-2-fluoroacetic acid
CID 81357739
1-(4-benzylpiperazin-1-yl)-2-cyclopropyl-2-phenylethanone
CID 110411985

Frequently Asked Questions

What is the IUPAC name of [(7-benzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl)-cyclopropylmethyl] acetate?
The IUPAC name of [(7-benzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl)-cyclopropylmethyl] acetate (CID 22335359) is [(7-benzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl)-cyclopropylmethyl] acetate.
What is the SMILES notation for [(7-benzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl)-cyclopropylmethyl] acetate?
The canonical SMILES for [(7-benzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl)-cyclopropylmethyl] acetate is CC(=O)OC(c1ncc2n1CCN(Cc1ccccc1)C2)C1CC1.
What is the InChIKey of [(7-benzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl)-cyclopropylmethyl] acetate?
The InChIKey is GYSMQVGFFPIHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14(23)24-18(16-7-8-16)19-20-11-17-13-21(9-10-22(17)19)12-15-5-3-2-4-6-15/h2-6,11,16,18H,7-10,12-13H2,1H3.
What are the key properties of [(7-benzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl)-cyclopropylmethyl] acetate?
[(7-benzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl)-cyclopropylmethyl] acetate has a molecular weight of 325.41 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(7-benzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl)-cyclopropylmethyl] acetate is sourced from PubChem (CID 22335359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).