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

C15H23N3O3S — CID 97421987

IUPAC(8R)-3-(cyclopropylmethoxymethyl)-7-cyclopropylsulfonyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESC[C@@H]1c2ncc(COCC3CC3)n2CCN1S(=O)(=O)C1CC1
InChIInChI=1S/C15H23N3O3S/c1-11-15-16-8-13(10-21-9-12-2-3-12)17(15)6-7-18(11)22(19,20)14-4-5-14/h8,11-12,14H,2-7,9-10H2,1H3/t11-/m1/s1
InChIKeyVUFVUZVVDRJXBR-LLVKDONJSA-N
MW325.43 g/mol
LogP1.68
Rot. Bonds6

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

(8R)-3-(cyclopropylmethoxymethyl)-7-cyclopropylsulfonyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 97421987) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is (8R)-3-(cyclopropylmethoxymethyl)-7-cyclopropylsulfonyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name(8R)-3-(cyclopropylmethoxymethyl)-7-cyclopropylsulfonyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID97421987
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name(8R)-3-(cyclopropylmethoxymethyl)-7-cyclopropylsulfonyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESC[C@@H]1c2ncc(COCC3CC3)n2CCN1S(=O)(=O)C1CC1
InChIInChI=1S/C15H23N3O3S/c1-11-15-16-8-13(10-21-9-12-2-3-12)17(15)6-7-18(11)22(19,20)14-4-5-14/h8,11-12,14H,2-7,9-10H2,1H3/t11-/m1/s1
InChIKeyVUFVUZVVDRJXBR-LLVKDONJSA-N
XLogP1.68
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8R)-3-(cyclopropylmethoxymethyl)-7-cyclopropylsulfonyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of (8R)-3-(cyclopropylmethoxymethyl)-7-cyclopropylsulfonyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 97421987) is (8R)-3-(cyclopropylmethoxymethyl)-7-cyclopropylsulfonyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for (8R)-3-(cyclopropylmethoxymethyl)-7-cyclopropylsulfonyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for (8R)-3-(cyclopropylmethoxymethyl)-7-cyclopropylsulfonyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is C[C@@H]1c2ncc(COCC3CC3)n2CCN1S(=O)(=O)C1CC1.
What is the InChIKey of (8R)-3-(cyclopropylmethoxymethyl)-7-cyclopropylsulfonyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is VUFVUZVVDRJXBR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-11-15-16-8-13(10-21-9-12-2-3-12)17(15)6-7-18(11)22(19,20)14-4-5-14/h8,11-12,14H,2-7,9-10H2,1H3/t11-/m1/s1.
What are the key properties of (8R)-3-(cyclopropylmethoxymethyl)-7-cyclopropylsulfonyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
(8R)-3-(cyclopropylmethoxymethyl)-7-cyclopropylsulfonyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 325.43 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-3-(cyclopropylmethoxymethyl)-7-cyclopropylsulfonyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 97421987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).