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

C14H19F2N3O2 — CID 131650419

IUPAC(3,3-difluorocyclobutyl)-[3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESCOCc1cnc2n1CCN(C(=O)C1CC(F)(F)C1)C2C
InChIInChI=1S/C14H19F2N3O2/c1-9-12-17-7-11(8-21-2)19(12)4-3-18(9)13(20)10-5-14(15,16)6-10/h7,9-10H,3-6,8H2,1-2H3
InChIKeyCQJCVKSULFVGFL-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.98
Rot. Bonds3

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

(3,3-difluorocyclobutyl)-[3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (PubChem CID 131650419) has the molecular formula C14H19F2N3O2 and a molecular weight of 299.32 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-[3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)-[3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
PubChem CID131650419
Molecular FormulaC14H19F2N3O2
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC Name(3,3-difluorocyclobutyl)-[3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESCOCc1cnc2n1CCN(C(=O)C1CC(F)(F)C1)C2C
InChIInChI=1S/C14H19F2N3O2/c1-9-12-17-7-11(8-21-2)19(12)4-3-18(9)13(20)10-5-14(15,16)6-10/h7,9-10H,3-6,8H2,1-2H3
InChIKeyCQJCVKSULFVGFL-UHFFFAOYSA-N
XLogP1.98
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-methoxypropan-1-one
CID 118741209
7-cyclobutyl-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 118743401
1-Cyclobutanecarbonyl-4-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-YL]piperidine
CID 124047382
7-cyclobutyl-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 118743400
7-cyclopentyl-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 118743402
1-(4-{[2-(Methoxymethyl)-5-methyl-1H-imidazol-1-YL]methyl}piperidin-1-YL)-2-methylpropan-1-one
CID 132442616
(3,3-difluorocyclobutyl)-[(8R)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97421829
(3,3-difluorocyclobutyl)-[(8S)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97421830
(1-fluorocyclobutyl)-[(8R)-3-(2-methoxyethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 129544375
(1-fluorocyclobutyl)-[(8S)-3-(2-methoxyethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 129544376
2-[[7-(1-fluorocyclopropanecarbonyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 131689262
(1-fluorocyclobutyl)-[3-(2-methoxyethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 131695456

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-[3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The IUPAC name of (3,3-difluorocyclobutyl)-[3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (CID 131650419) is (3,3-difluorocyclobutyl)-[3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (3,3-difluorocyclobutyl)-[3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The canonical SMILES for (3,3-difluorocyclobutyl)-[3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is COCc1cnc2n1CCN(C(=O)C1CC(F)(F)C1)C2C.
What is the InChIKey of (3,3-difluorocyclobutyl)-[3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The InChIKey is CQJCVKSULFVGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O2/c1-9-12-17-7-11(8-21-2)19(12)4-3-18(9)13(20)10-5-14(15,16)6-10/h7,9-10H,3-6,8H2,1-2H3.
What are the key properties of (3,3-difluorocyclobutyl)-[3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
(3,3-difluorocyclobutyl)-[3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone has a molecular weight of 299.32 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)-[3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 131650419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).