N-[4-[[(8aR)-2-[(4-methoxyphenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]methyl]phenyl]acetamide

C23H28N4O3 — CID 75368631

IUPACN-[4-[[(8aR)-2-[(4-methoxyphenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]methyl]phenyl]acetamide
SMILESCOc1ccc(CN2C[C@H]3CN(Cc4ccc(NC(C)=O)cc4)CCN3C2=O)cc1
InChIInChI=1S/C23H28N4O3/c1-17(28)24-20-7-3-18(4-8-20)13-25-11-12-27-21(15-25)16-26(23(27)29)14-19-5-9-22(30-2)10-6-19/h3-10,21H,11-16H2,1-2H3,(H,24,28)/t21-/m1/s1
InChIKeyRDOCSEUQRJBVIP-OAQYLSRUSA-N
MW408.50 g/mol
LogP2.78
Rot. Bonds6

About N-[4-[[(8aR)-2-[(4-methoxyphenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]methyl]phenyl]acetamide

N-[4-[[(8aR)-2-[(4-methoxyphenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]methyl]phenyl]acetamide (PubChem CID 75368631) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[4-[[(8aR)-2-[(4-methoxyphenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(8aR)-2-[(4-methoxyphenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]methyl]phenyl]acetamide
PubChem CID75368631
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-[4-[[(8aR)-2-[(4-methoxyphenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]methyl]phenyl]acetamide
SMILESCOc1ccc(CN2C[C@H]3CN(Cc4ccc(NC(C)=O)cc4)CCN3C2=O)cc1
InChIInChI=1S/C23H28N4O3/c1-17(28)24-20-7-3-18(4-8-20)13-25-11-12-27-21(15-25)16-26(23(27)29)14-19-5-9-22(30-2)10-6-19/h3-10,21H,11-16H2,1-2H3,(H,24,28)/t21-/m1/s1
InChIKeyRDOCSEUQRJBVIP-OAQYLSRUSA-N
XLogP2.78
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[[(8aR)-2-[(4-methoxyphenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]methyl]phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(8aR)-2-[(4-methoxyphenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(8aR)-2-[(4-methoxyphenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]methyl]phenyl]acetamide (CID 75368631) is N-[4-[[(8aR)-2-[(4-methoxyphenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(8aR)-2-[(4-methoxyphenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(8aR)-2-[(4-methoxyphenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]methyl]phenyl]acetamide is COc1ccc(CN2C[C@H]3CN(Cc4ccc(NC(C)=O)cc4)CCN3C2=O)cc1.
What is the InChIKey of N-[4-[[(8aR)-2-[(4-methoxyphenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]methyl]phenyl]acetamide?
The InChIKey is RDOCSEUQRJBVIP-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-17(28)24-20-7-3-18(4-8-20)13-25-11-12-27-21(15-25)16-26(23(27)29)14-19-5-9-22(30-2)10-6-19/h3-10,21H,11-16H2,1-2H3,(H,24,28)/t21-/m1/s1.
What are the key properties of N-[4-[[(8aR)-2-[(4-methoxyphenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]methyl]phenyl]acetamide?
N-[4-[[(8aR)-2-[(4-methoxyphenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]methyl]phenyl]acetamide has a molecular weight of 408.50 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(8aR)-2-[(4-methoxyphenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 75368631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).