8-methyl-7-(oxolan-3-yl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)

C19H23F6N5O5 — CID 155827631

IUPAC8-methyl-7-(oxolan-3-yl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
SMILESCC1c2ncc(Cn3cccn3)n2CCN1C1CCOC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C15H21N5O.2C2HF3O2/c1-12-15-16-9-14(10-18-5-2-4-17-18)20(15)7-6-19(12)13-3-8-21-11-13;2*3-2(4,5)1(6)7/h2,4-5,9,12-13H,3,6-8,10-11H2,1H3;2*(H,6,7)
InChIKeyBEWDWEKLJCSXPC-UHFFFAOYSA-N
MW515.41 g/mol
LogP2.56
Rot. Bonds3

About 8-methyl-7-(oxolan-3-yl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)

8-methyl-7-(oxolan-3-yl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155827631) has the molecular formula C19H23F6N5O5 and a molecular weight of 515.41 g/mol. Its IUPAC name is 8-methyl-7-(oxolan-3-yl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name8-methyl-7-(oxolan-3-yl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
PubChem CID155827631
Molecular FormulaC19H23F6N5O5
Molecular Weight515.41 g/mol
Exact Mass515.16
IUPAC Name8-methyl-7-(oxolan-3-yl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
SMILESCC1c2ncc(Cn3cccn3)n2CCN1C1CCOC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C15H21N5O.2C2HF3O2/c1-12-15-16-9-14(10-18-5-2-4-17-18)20(15)7-6-19(12)13-3-8-21-11-13;2*3-2(4,5)1(6)7/h2,4-5,9,12-13H,3,6-8,10-11H2,1H3;2*(H,6,7)
InChIKeyBEWDWEKLJCSXPC-UHFFFAOYSA-N
XLogP2.56
TPSA122.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-methyl-7-(oxolan-3-yl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

7-[(1-methylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 118743909
8-methyl-7-methylsulfonyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 118744606
8-methyl-3-(pyrazol-1-ylmethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 118744623
N-cyclopropyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 118744980
N-ethyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]ethanamine;bis(2,2,2-trifluoroacetic acid)
CID 118746022
N,N-dimethyl-2-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 118746248
N-methyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-pyrimidin-5-ylmethanamine;bis(2,2,2-trifluoroacetic acid)
CID 118746361
8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
CID 118747083
(4aR,7aS)-6-[(1-methylpyrazol-4-yl)methyl]-4-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine;bis(2,2,2-trifluoroacetic acid)
CID 127022871
(4aR,7aS)-6-[(3-methylimidazol-4-yl)methyl]-4-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine;2,2,2-trifluoroacetic acid
CID 127022980
methyl (2S)-3-pyrazol-1-yl-2-[4-(trifluoromethyl)imidazol-1-yl]propanoate
CID 58437091
Methyl 3-pyrazol-1-yl-2-[4-(trifluoromethyl)imidazol-1-yl]propanoate
CID 67130896

Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-(oxolan-3-yl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 8-methyl-7-(oxolan-3-yl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (CID 155827631) is 8-methyl-7-(oxolan-3-yl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 8-methyl-7-(oxolan-3-yl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 8-methyl-7-(oxolan-3-yl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is CC1c2ncc(Cn3cccn3)n2CCN1C1CCOC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 8-methyl-7-(oxolan-3-yl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is BEWDWEKLJCSXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O.2C2HF3O2/c1-12-15-16-9-14(10-18-5-2-4-17-18)20(15)7-6-19(12)13-3-8-21-11-13;2*3-2(4,5)1(6)7/h2,4-5,9,12-13H,3,6-8,10-11H2,1H3;2*(H,6,7).
What are the key properties of 8-methyl-7-(oxolan-3-yl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
8-methyl-7-(oxolan-3-yl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 515.41 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-(oxolan-3-yl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155827631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).