3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid

C18H21F3N6O3 — CID 155846323

IUPAC3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid
SMILESCc1noc(C)c1CN1CCn2c(Cn3cccn3)cnc2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H20N6O.C2HF3O2/c1-12-15(13(2)23-19-12)10-20-6-7-22-14(8-17-16(22)11-20)9-21-5-3-4-18-21;3-2(4,5)1(6)7/h3-5,8H,6-7,9-11H2,1-2H3;(H,6,7)
InChIKeyPWGZQEOUCOVCFE-UHFFFAOYSA-N
MW426.40 g/mol
LogP2.38
Rot. Bonds4

About 3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid

3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid (PubChem CID 155846323) has the molecular formula C18H21F3N6O3 and a molecular weight of 426.40 g/mol. Its IUPAC name is 3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid
PubChem CID155846323
Molecular FormulaC18H21F3N6O3
Molecular Weight426.40 g/mol
Exact Mass426.16
IUPAC Name3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid
SMILESCc1noc(C)c1CN1CCn2c(Cn3cccn3)cnc2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H20N6O.C2HF3O2/c1-12-15(13(2)23-19-12)10-20-6-7-22-14(8-17-16(22)11-20)9-21-5-3-4-18-21;3-2(4,5)1(6)7/h3-5,8H,6-7,9-11H2,1-2H3;(H,6,7)
InChIKeyPWGZQEOUCOVCFE-UHFFFAOYSA-N
XLogP2.38
TPSA102.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

1-[(3,5-dimethylisoxazol-4-yl)methyl]-4-[4-methyl-5-(1H-pyrazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 72896201
3,5-dimethyl-4-[[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole
CID 97390267
3,5-Dimethyl-4-[[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methyl]-1,2-oxazole
CID 97467082
3,5-Dimethyl-4-[[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid
CID 118742691
3,5-dimethyl-4-[[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid
CID 118744593
N-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-N-ethylethanamine;bis(2,2,2-trifluoroacetic acid)
CID 118746546
3,5-dimethyl-4-[[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole;bis(2,2,2-trifluoroacetic acid)
CID 118746547
3,5-dimethyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole;tris(2,2,2-trifluoroacetic acid)
CID 118747007
(4aR,7aS)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-[(3-methylimidazol-4-yl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine;bis(2,2,2-trifluoroacetic acid)
CID 127023397
(4aR,7aS)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-[(1-methylimidazol-2-yl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine;bis(2,2,2-trifluoroacetic acid)
CID 127023583
[1-(Difluoromethyl)pyrazol-3-yl]-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 110135422
N-[(3,5-dimethylisoxazol-4-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121506792

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid (CID 155846323) is 3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid is Cc1noc(C)c1CN1CCn2c(Cn3cccn3)cnc2C1.O=C(O)C(F)(F)F.
What is the InChIKey of 3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid?
The InChIKey is PWGZQEOUCOVCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O.C2HF3O2/c1-12-15(13(2)23-19-12)10-20-6-7-22-14(8-17-16(22)11-20)9-21-5-3-4-18-21;3-2(4,5)1(6)7/h3-5,8H,6-7,9-11H2,1-2H3;(H,6,7).
What are the key properties of 3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid?
3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid has a molecular weight of 426.40 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155846323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).