[4-(furan-2-yl)phenyl]-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone

C21H19N5O2S — CID 177370993

IUPAC[4-(furan-2-yl)phenyl]-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESCc1nsc(-c2ncc3n2CCN(C(=O)c2ccc(-c4ccco4)cc2)[C@@H]3C)n1
InChIInChI=1S/C21H19N5O2S/c1-13-17-12-22-19(20-23-14(2)24-29-20)26(17)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1
InChIKeyQPVNAGVDRIEACD-CYBMUJFWSA-N
MW405.48 g/mol
LogP4.19
Rot. Bonds3

About [4-(furan-2-yl)phenyl]-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone

[4-(furan-2-yl)phenyl]-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 177370993) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is [4-(furan-2-yl)phenyl]-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name[4-(furan-2-yl)phenyl]-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
PubChem CID177370993
Molecular FormulaC21H19N5O2S
Molecular Weight405.48 g/mol
Exact Mass405.13
IUPAC Name[4-(furan-2-yl)phenyl]-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESCc1nsc(-c2ncc3n2CCN(C(=O)c2ccc(-c4ccco4)cc2)[C@@H]3C)n1
InChIInChI=1S/C21H19N5O2S/c1-13-17-12-22-19(20-23-14(2)24-29-20)26(17)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1
InChIKeyQPVNAGVDRIEACD-CYBMUJFWSA-N
XLogP4.19
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-(furan-2-yl)phenyl]-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-yl)phenyl]-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The IUPAC name of [4-(furan-2-yl)phenyl]-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (CID 177370993) is [4-(furan-2-yl)phenyl]-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.
What is the SMILES notation for [4-(furan-2-yl)phenyl]-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The canonical SMILES for [4-(furan-2-yl)phenyl]-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is Cc1nsc(-c2ncc3n2CCN(C(=O)c2ccc(-c4ccco4)cc2)[C@@H]3C)n1.
What is the InChIKey of [4-(furan-2-yl)phenyl]-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The InChIKey is QPVNAGVDRIEACD-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H19N5O2S/c1-13-17-12-22-19(20-23-14(2)24-29-20)26(17)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1.
What are the key properties of [4-(furan-2-yl)phenyl]-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
[4-(furan-2-yl)phenyl]-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone has a molecular weight of 405.48 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-yl)phenyl]-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 177370993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).