7-(oxan-4-yl)-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)

C19H23F6N5O5 — CID 155843421

IUPAC7-(oxan-4-yl)-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cnn(Cc2cn3c(n2)CN(C2CCOCC2)CC3)c1
InChIInChI=1S/C15H21N5O.2C2HF3O2/c1-4-16-20(5-1)11-13-10-19-7-6-18(12-15(19)17-13)14-2-8-21-9-3-14;2*3-2(4,5)1(6)7/h1,4-5,10,14H,2-3,6-9,11-12H2;2*(H,6,7)
InChIKeyBQKFIIHVIQUOIP-UHFFFAOYSA-N
MW515.41 g/mol
LogP2.39
Rot. Bonds3

About 7-(oxan-4-yl)-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)

7-(oxan-4-yl)-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155843421) has the molecular formula C19H23F6N5O5 and a molecular weight of 515.41 g/mol. Its IUPAC name is 7-(oxan-4-yl)-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name7-(oxan-4-yl)-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
PubChem CID155843421
Molecular FormulaC19H23F6N5O5
Molecular Weight515.41 g/mol
Exact Mass515.16
IUPAC Name7-(oxan-4-yl)-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cnn(Cc2cn3c(n2)CN(C2CCOCC2)CC3)c1
InChIInChI=1S/C15H21N5O.2C2HF3O2/c1-4-16-20(5-1)11-13-10-19-7-6-18(12-15(19)17-13)14-2-8-21-9-3-14;2*3-2(4,5)1(6)7/h1,4-5,10,14H,2-3,6-9,11-12H2;2*(H,6,7)
InChIKeyBQKFIIHVIQUOIP-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-methyl-N-[[7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 118743787
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-(oxan-4-yl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 118744079
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,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
7-(oxan-4-yl)-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 118746473
7-(cyclohexylmethyl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 118746682
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

Frequently Asked Questions

What is the IUPAC name of 7-(oxan-4-yl)-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 7-(oxan-4-yl)-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (CID 155843421) is 7-(oxan-4-yl)-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 7-(oxan-4-yl)-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 7-(oxan-4-yl)-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cnn(Cc2cn3c(n2)CN(C2CCOCC2)CC3)c1.
What is the InChIKey of 7-(oxan-4-yl)-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is BQKFIIHVIQUOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O.2C2HF3O2/c1-4-16-20(5-1)11-13-10-19-7-6-18(12-15(19)17-13)14-2-8-21-9-3-14;2*3-2(4,5)1(6)7/h1,4-5,10,14H,2-3,6-9,11-12H2;2*(H,6,7).
What are the key properties of 7-(oxan-4-yl)-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
7-(oxan-4-yl)-2-(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 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(oxan-4-yl)-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155843421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).