1-[2-[(8S)-3-bromo-2,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]cyclobutan-1-ol

C14H22BrN3O — CID 164639523

IUPAC1-[2-[(8S)-3-bromo-2,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]cyclobutan-1-ol
SMILESCc1nc2n(c1Br)CCN(CCC1(O)CCC1)[C@H]2C
InChIInChI=1S/C14H22BrN3O/c1-10-12(15)18-9-8-17(11(2)13(18)16-10)7-6-14(19)4-3-5-14/h11,19H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyGBHSYPBKFZSNON-NSHDSACASA-N
MW328.25 g/mol
LogP2.64
Rot. Bonds3

About 1-[2-[(8S)-3-bromo-2,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]cyclobutan-1-ol

1-[2-[(8S)-3-bromo-2,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]cyclobutan-1-ol (PubChem CID 164639523) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-[2-[(8S)-3-bromo-2,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[2-[(8S)-3-bromo-2,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]cyclobutan-1-ol
PubChem CID164639523
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC Name1-[2-[(8S)-3-bromo-2,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]cyclobutan-1-ol
SMILESCc1nc2n(c1Br)CCN(CCC1(O)CCC1)[C@H]2C
InChIInChI=1S/C14H22BrN3O/c1-10-12(15)18-9-8-17(11(2)13(18)16-10)7-6-14(19)4-3-5-14/h11,19H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyGBHSYPBKFZSNON-NSHDSACASA-N
XLogP2.64
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(8S)-3-bromo-2,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]cyclobutan-1-ol?
The IUPAC name of 1-[2-[(8S)-3-bromo-2,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]cyclobutan-1-ol (CID 164639523) is 1-[2-[(8S)-3-bromo-2,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[2-[(8S)-3-bromo-2,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]cyclobutan-1-ol?
The canonical SMILES for 1-[2-[(8S)-3-bromo-2,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]cyclobutan-1-ol is Cc1nc2n(c1Br)CCN(CCC1(O)CCC1)[C@H]2C.
What is the InChIKey of 1-[2-[(8S)-3-bromo-2,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]cyclobutan-1-ol?
The InChIKey is GBHSYPBKFZSNON-NSHDSACASA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-10-12(15)18-9-8-17(11(2)13(18)16-10)7-6-14(19)4-3-5-14/h11,19H,3-9H2,1-2H3/t11-/m0/s1.
What are the key properties of 1-[2-[(8S)-3-bromo-2,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]cyclobutan-1-ol?
1-[2-[(8S)-3-bromo-2,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]cyclobutan-1-ol has a molecular weight of 328.25 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(8S)-3-bromo-2,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]cyclobutan-1-ol is sourced from PubChem (CID 164639523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).