3-(5-methylpyrazin-2-yl)-7-[[5-(oxan-2-yl)thiophen-2-yl]methyl]-1-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

C27H29N5OS — CID 45160591

IUPAC3-(5-methylpyrazin-2-yl)-7-[[5-(oxan-2-yl)thiophen-2-yl]methyl]-1-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCc1cnc(-c2nc(-c3ccccc3)c3n2CCN(Cc2ccc(C4CCCCO4)s2)C3)cn1
InChIInChI=1S/C27H29N5OS/c1-19-15-29-22(16-28-19)27-30-26(20-7-3-2-4-8-20)23-18-31(12-13-32(23)27)17-21-10-11-25(34-21)24-9-5-6-14-33-24/h2-4,7-8,10-11,15-16,24H,5-6,9,12-14,17-18H2,1H3
InChIKeyNWCYLDBIPANPRD-UHFFFAOYSA-N
MW471.63 g/mol
LogP5.63
Rot. Bonds5

About 3-(5-methylpyrazin-2-yl)-7-[[5-(oxan-2-yl)thiophen-2-yl]methyl]-1-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

3-(5-methylpyrazin-2-yl)-7-[[5-(oxan-2-yl)thiophen-2-yl]methyl]-1-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (PubChem CID 45160591) has the molecular formula C27H29N5OS and a molecular weight of 471.63 g/mol. Its IUPAC name is 3-(5-methylpyrazin-2-yl)-7-[[5-(oxan-2-yl)thiophen-2-yl]methyl]-1-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name3-(5-methylpyrazin-2-yl)-7-[[5-(oxan-2-yl)thiophen-2-yl]methyl]-1-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
PubChem CID45160591
Molecular FormulaC27H29N5OS
Molecular Weight471.63 g/mol
Exact Mass471.21
IUPAC Name3-(5-methylpyrazin-2-yl)-7-[[5-(oxan-2-yl)thiophen-2-yl]methyl]-1-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCc1cnc(-c2nc(-c3ccccc3)c3n2CCN(Cc2ccc(C4CCCCO4)s2)C3)cn1
InChIInChI=1S/C27H29N5OS/c1-19-15-29-22(16-28-19)27-30-26(20-7-3-2-4-8-20)23-18-31(12-13-32(23)27)17-21-10-11-25(34-21)24-9-5-6-14-33-24/h2-4,7-8,10-11,15-16,24H,5-6,9,12-14,17-18H2,1H3
InChIKeyNWCYLDBIPANPRD-UHFFFAOYSA-N
XLogP5.63
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.63
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(5-methylpyrazin-2-yl)-7-[[5-(oxan-2-yl)thiophen-2-yl]methyl]-1-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine 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 3-(5-methylpyrazin-2-yl)-7-[[5-(oxan-2-yl)thiophen-2-yl]methyl]-1-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The IUPAC name of 3-(5-methylpyrazin-2-yl)-7-[[5-(oxan-2-yl)thiophen-2-yl]methyl]-1-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (CID 45160591) is 3-(5-methylpyrazin-2-yl)-7-[[5-(oxan-2-yl)thiophen-2-yl]methyl]-1-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.
What is the SMILES notation for 3-(5-methylpyrazin-2-yl)-7-[[5-(oxan-2-yl)thiophen-2-yl]methyl]-1-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The canonical SMILES for 3-(5-methylpyrazin-2-yl)-7-[[5-(oxan-2-yl)thiophen-2-yl]methyl]-1-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is Cc1cnc(-c2nc(-c3ccccc3)c3n2CCN(Cc2ccc(C4CCCCO4)s2)C3)cn1.
What is the InChIKey of 3-(5-methylpyrazin-2-yl)-7-[[5-(oxan-2-yl)thiophen-2-yl]methyl]-1-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The InChIKey is NWCYLDBIPANPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5OS/c1-19-15-29-22(16-28-19)27-30-26(20-7-3-2-4-8-20)23-18-31(12-13-32(23)27)17-21-10-11-25(34-21)24-9-5-6-14-33-24/h2-4,7-8,10-11,15-16,24H,5-6,9,12-14,17-18H2,1H3.
What are the key properties of 3-(5-methylpyrazin-2-yl)-7-[[5-(oxan-2-yl)thiophen-2-yl]methyl]-1-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
3-(5-methylpyrazin-2-yl)-7-[[5-(oxan-2-yl)thiophen-2-yl]methyl]-1-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine has a molecular weight of 471.63 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylpyrazin-2-yl)-7-[[5-(oxan-2-yl)thiophen-2-yl]methyl]-1-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is sourced from PubChem (CID 45160591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).