4-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-2-methoxybenzaldehyde

C19H21N3O3 — CID 139543526

IUPAC4-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-2-methoxybenzaldehyde
SMILESCOc1cc(-c2nc(C3CC3)n3c2CN(C(C)=O)CC3)ccc1C=O
InChIInChI=1S/C19H21N3O3/c1-12(24)21-7-8-22-16(10-21)18(20-19(22)13-3-4-13)14-5-6-15(11-23)17(9-14)25-2/h5-6,9,11,13H,3-4,7-8,10H2,1-2H3
InChIKeyOUWAGUNKEZPPDZ-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.61
Rot. Bonds4

About 4-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-2-methoxybenzaldehyde

4-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-2-methoxybenzaldehyde (PubChem CID 139543526) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-2-methoxybenzaldehyde.

Molecular Properties

Compound Name4-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-2-methoxybenzaldehyde
PubChem CID139543526
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name4-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-2-methoxybenzaldehyde
SMILESCOc1cc(-c2nc(C3CC3)n3c2CN(C(C)=O)CC3)ccc1C=O
InChIInChI=1S/C19H21N3O3/c1-12(24)21-7-8-22-16(10-21)18(20-19(22)13-3-4-13)14-5-6-15(11-23)17(9-14)25-2/h5-6,9,11,13H,3-4,7-8,10H2,1-2H3
InChIKeyOUWAGUNKEZPPDZ-UHFFFAOYSA-N
XLogP2.61
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone
CID 139530360
1-[3-cyclopropyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 139530417
3-[3-cyclopentyl-1-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-1-methylquinolin-4-one
CID 26223485
2-methoxy-4-pyridin-4-ylbenzaldehyde
CID 164891675
2-cyclopropyl-4-(3,4-dimethoxyphenyl)imidazole-1,5-diamine
CID 62483620
tert-butyl 4-(4-formyl-3-methoxyphenyl)benzoate
CID 178183642
(4-formyl-3-methoxyphenyl) acetate
CID 22633336
1-[4-(7-methoxy-1-phenylimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 126473836
1-[4-[2-(3-methoxy-4-prop-2-enoxyphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone
CID 42865910
1-[(3S)-3-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]oxypyrrolidin-1-yl]ethanone
CID 134154582
2-cyclopropyl-5-(4-methoxy-3-methylphenyl)-3-methylimidazol-4-amine
CID 62220176
3-cyclopropyl-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 139530483

Frequently Asked Questions

What is the IUPAC name of 4-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-2-methoxybenzaldehyde?
The IUPAC name of 4-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-2-methoxybenzaldehyde (CID 139543526) is 4-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-2-methoxybenzaldehyde.
What is the SMILES notation for 4-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-2-methoxybenzaldehyde?
The canonical SMILES for 4-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-2-methoxybenzaldehyde is COc1cc(-c2nc(C3CC3)n3c2CN(C(C)=O)CC3)ccc1C=O.
What is the InChIKey of 4-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-2-methoxybenzaldehyde?
The InChIKey is OUWAGUNKEZPPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12(24)21-7-8-22-16(10-21)18(20-19(22)13-3-4-13)14-5-6-15(11-23)17(9-14)25-2/h5-6,9,11,13H,3-4,7-8,10H2,1-2H3.
What are the key properties of 4-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-2-methoxybenzaldehyde?
4-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-2-methoxybenzaldehyde has a molecular weight of 339.40 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-acetyl-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-2-methoxybenzaldehyde is sourced from PubChem (CID 139543526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).