(8aR)-2,7-bis[(4-methoxyphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

C22H27N3O3 — CID 75368614

IUPAC(8aR)-2,7-bis[(4-methoxyphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCOc1ccc(CN2CCN3C(=O)N(Cc4ccc(OC)cc4)C[C@H]3C2)cc1
InChIInChI=1S/C22H27N3O3/c1-27-20-7-3-17(4-8-20)13-23-11-12-25-19(15-23)16-24(22(25)26)14-18-5-9-21(28-2)10-6-18/h3-10,19H,11-16H2,1-2H3/t19-/m1/s1
InChIKeyNCJAKAAHRXLONJ-LJQANCHMSA-N
MW381.48 g/mol
LogP2.83
Rot. Bonds6

About (8aR)-2,7-bis[(4-methoxyphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

(8aR)-2,7-bis[(4-methoxyphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 75368614) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is (8aR)-2,7-bis[(4-methoxyphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-2,7-bis[(4-methoxyphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID75368614
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name(8aR)-2,7-bis[(4-methoxyphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCOc1ccc(CN2CCN3C(=O)N(Cc4ccc(OC)cc4)C[C@H]3C2)cc1
InChIInChI=1S/C22H27N3O3/c1-27-20-7-3-17(4-8-20)13-23-11-12-25-19(15-23)16-24(22(25)26)14-18-5-9-21(28-2)10-6-18/h3-10,19H,11-16H2,1-2H3/t19-/m1/s1
InChIKeyNCJAKAAHRXLONJ-LJQANCHMSA-N
XLogP2.83
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (8aR)-2,7-bis[(4-methoxyphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8aR)-2,7-bis[(4-methoxyphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-2,7-bis[(4-methoxyphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 75368614) is (8aR)-2,7-bis[(4-methoxyphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aR)-2,7-bis[(4-methoxyphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-2,7-bis[(4-methoxyphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is COc1ccc(CN2CCN3C(=O)N(Cc4ccc(OC)cc4)C[C@H]3C2)cc1.
What is the InChIKey of (8aR)-2,7-bis[(4-methoxyphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is NCJAKAAHRXLONJ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-27-20-7-3-17(4-8-20)13-23-11-12-25-19(15-23)16-24(22(25)26)14-18-5-9-21(28-2)10-6-18/h3-10,19H,11-16H2,1-2H3/t19-/m1/s1.
What are the key properties of (8aR)-2,7-bis[(4-methoxyphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
(8aR)-2,7-bis[(4-methoxyphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 381.48 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2,7-bis[(4-methoxyphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 75368614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).