(8R)-3-(methoxymethyl)-8-methyl-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C15H21N3OS — CID 97421744

IUPAC(8R)-3-(methoxymethyl)-8-methyl-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCOCc1cnc2n1CCN(Cc1ccc(C)s1)[C@@H]2C
InChIInChI=1S/C15H21N3OS/c1-11-4-5-14(20-11)9-17-6-7-18-13(10-19-3)8-16-15(18)12(17)2/h4-5,8,12H,6-7,9-10H2,1-3H3/t12-/m1/s1
InChIKeyRDRKSSCLWWFDCU-GFCCVEGCSA-N
MW291.42 g/mol
LogP2.98
Rot. Bonds4

About (8R)-3-(methoxymethyl)-8-methyl-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

(8R)-3-(methoxymethyl)-8-methyl-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 97421744) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is (8R)-3-(methoxymethyl)-8-methyl-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name(8R)-3-(methoxymethyl)-8-methyl-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID97421744
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name(8R)-3-(methoxymethyl)-8-methyl-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCOCc1cnc2n1CCN(Cc1ccc(C)s1)[C@@H]2C
InChIInChI=1S/C15H21N3OS/c1-11-4-5-14(20-11)9-17-6-7-18-13(10-19-3)8-16-15(18)12(17)2/h4-5,8,12H,6-7,9-10H2,1-3H3/t12-/m1/s1
InChIKeyRDRKSSCLWWFDCU-GFCCVEGCSA-N
XLogP2.98
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8R)-3-(methoxymethyl)-8-methyl-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of (8R)-3-(methoxymethyl)-8-methyl-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 97421744) is (8R)-3-(methoxymethyl)-8-methyl-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for (8R)-3-(methoxymethyl)-8-methyl-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for (8R)-3-(methoxymethyl)-8-methyl-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is COCc1cnc2n1CCN(Cc1ccc(C)s1)[C@@H]2C.
What is the InChIKey of (8R)-3-(methoxymethyl)-8-methyl-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is RDRKSSCLWWFDCU-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-11-4-5-14(20-11)9-17-6-7-18-13(10-19-3)8-16-15(18)12(17)2/h4-5,8,12H,6-7,9-10H2,1-3H3/t12-/m1/s1.
What are the key properties of (8R)-3-(methoxymethyl)-8-methyl-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
(8R)-3-(methoxymethyl)-8-methyl-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 291.42 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-3-(methoxymethyl)-8-methyl-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 97421744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).