(1-fluorocyclobutyl)-[3-(2-methoxyethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

C15H22FN3O2 — CID 131695456

IUPAC(1-fluorocyclobutyl)-[3-(2-methoxyethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESCOCCc1cnc2n1CCN(C(=O)C1(F)CCC1)C2C
InChIInChI=1S/C15H22FN3O2/c1-11-13-17-10-12(4-9-21-2)19(13)8-7-18(11)14(20)15(16)5-3-6-15/h10-11H,3-9H2,1-2H3
InChIKeyPUNHUUMPXAAALY-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.87
Rot. Bonds4

About (1-fluorocyclobutyl)-[3-(2-methoxyethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

(1-fluorocyclobutyl)-[3-(2-methoxyethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (PubChem CID 131695456) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is (1-fluorocyclobutyl)-[3-(2-methoxyethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(1-fluorocyclobutyl)-[3-(2-methoxyethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
PubChem CID131695456
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name(1-fluorocyclobutyl)-[3-(2-methoxyethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESCOCCc1cnc2n1CCN(C(=O)C1(F)CCC1)C2C
InChIInChI=1S/C15H22FN3O2/c1-11-13-17-10-12(4-9-21-2)19(13)8-7-18(11)14(20)15(16)5-3-6-15/h10-11H,3-9H2,1-2H3
InChIKeyPUNHUUMPXAAALY-UHFFFAOYSA-N
XLogP1.87
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-fluorocyclobutyl)-[3-(2-methoxyethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The IUPAC name of (1-fluorocyclobutyl)-[3-(2-methoxyethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (CID 131695456) is (1-fluorocyclobutyl)-[3-(2-methoxyethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (1-fluorocyclobutyl)-[3-(2-methoxyethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The canonical SMILES for (1-fluorocyclobutyl)-[3-(2-methoxyethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is COCCc1cnc2n1CCN(C(=O)C1(F)CCC1)C2C.
What is the InChIKey of (1-fluorocyclobutyl)-[3-(2-methoxyethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The InChIKey is PUNHUUMPXAAALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-11-13-17-10-12(4-9-21-2)19(13)8-7-18(11)14(20)15(16)5-3-6-15/h10-11H,3-9H2,1-2H3.
What are the key properties of (1-fluorocyclobutyl)-[3-(2-methoxyethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
(1-fluorocyclobutyl)-[3-(2-methoxyethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone has a molecular weight of 295.36 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluorocyclobutyl)-[3-(2-methoxyethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 131695456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).