benzaldehyde;7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-amine;7-(cyclohexylmethyl)-3-(2-phenylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

C41H57N7O — CID 158639006

IUPACbenzaldehyde;7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-amine;7-(cyclohexylmethyl)-3-(2-phenylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESNc1ncc2n1CCN(CC1CCCCC1)C2.O=Cc1ccccc1.c1ccc(CCc2ncc3n2CCN(CC2CCCCC2)C3)cc1
InChIInChI=1S/C21H29N3.C13H22N4.C7H6O/c1-3-7-18(8-4-1)11-12-21-22-15-20-17-23(13-14-24(20)21)16-19-9-5-2-6-10-19;14-13-15-8-12-10-16(6-7-17(12)13)9-11-4-2-1-3-5-11;8-6-7-4-2-1-3-5-7/h1,3-4,7-8,15,19H,2,5-6,9-14,16-17H2;8,11H,1-7,9-10H2,(H2,14,15);1-6H
InChIKeyIADDPAGLWYWEHV-UHFFFAOYSA-N
MW663.96 g/mol
LogP7.42
Rot. Bonds8

About benzaldehyde;7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-amine;7-(cyclohexylmethyl)-3-(2-phenylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

benzaldehyde;7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-amine;7-(cyclohexylmethyl)-3-(2-phenylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (PubChem CID 158639006) has the molecular formula C41H57N7O and a molecular weight of 663.96 g/mol. Its IUPAC name is benzaldehyde;7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-amine;7-(cyclohexylmethyl)-3-(2-phenylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Namebenzaldehyde;7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-amine;7-(cyclohexylmethyl)-3-(2-phenylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
PubChem CID158639006
Molecular FormulaC41H57N7O
Molecular Weight663.96 g/mol
Exact Mass663.46
IUPAC Namebenzaldehyde;7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-amine;7-(cyclohexylmethyl)-3-(2-phenylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESNc1ncc2n1CCN(CC1CCCCC1)C2.O=Cc1ccccc1.c1ccc(CCc2ncc3n2CCN(CC2CCCCC2)C3)cc1
InChIInChI=1S/C21H29N3.C13H22N4.C7H6O/c1-3-7-18(8-4-1)11-12-21-22-15-20-17-23(13-14-24(20)21)16-19-9-5-2-6-10-19;14-13-15-8-12-10-16(6-7-17(12)13)9-11-4-2-1-3-5-11;8-6-7-4-2-1-3-5-7/h1,3-4,7-8,15,19H,2,5-6,9-14,16-17H2;8,11H,1-7,9-10H2,(H2,14,15);1-6H
InChIKeyIADDPAGLWYWEHV-UHFFFAOYSA-N
XLogP7.42
TPSA85.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.96
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzaldehyde;7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-amine;7-(cyclohexylmethyl)-3-(2-phenylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The IUPAC name of benzaldehyde;7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-amine;7-(cyclohexylmethyl)-3-(2-phenylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (CID 158639006) is benzaldehyde;7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-amine;7-(cyclohexylmethyl)-3-(2-phenylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.
What is the SMILES notation for benzaldehyde;7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-amine;7-(cyclohexylmethyl)-3-(2-phenylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The canonical SMILES for benzaldehyde;7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-amine;7-(cyclohexylmethyl)-3-(2-phenylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is Nc1ncc2n1CCN(CC1CCCCC1)C2.O=Cc1ccccc1.c1ccc(CCc2ncc3n2CCN(CC2CCCCC2)C3)cc1.
What is the InChIKey of benzaldehyde;7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-amine;7-(cyclohexylmethyl)-3-(2-phenylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The InChIKey is IADDPAGLWYWEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3.C13H22N4.C7H6O/c1-3-7-18(8-4-1)11-12-21-22-15-20-17-23(13-14-24(20)21)16-19-9-5-2-6-10-19;14-13-15-8-12-10-16(6-7-17(12)13)9-11-4-2-1-3-5-11;8-6-7-4-2-1-3-5-7/h1,3-4,7-8,15,19H,2,5-6,9-14,16-17H2;8,11H,1-7,9-10H2,(H2,14,15);1-6H.
What are the key properties of benzaldehyde;7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-amine;7-(cyclohexylmethyl)-3-(2-phenylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
benzaldehyde;7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-amine;7-(cyclohexylmethyl)-3-(2-phenylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine has a molecular weight of 663.96 g/mol, XLogP of 7.42, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzaldehyde;7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-amine;7-(cyclohexylmethyl)-3-(2-phenylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is sourced from PubChem (CID 158639006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).