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

C20H30F6N4O5 — CID 155832216

IUPACN,N-dimethyl-2-[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethanamine;bis(2,2,2-trifluoroacetic acid)
SMILESCN(C)CCC1CN(CC2CCOCC2)Cc2cncn21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C16H28N4O.2C2HF3O2/c1-18(2)6-3-15-11-19(10-14-4-7-21-8-5-14)12-16-9-17-13-20(15)16;2*3-2(4,5)1(6)7/h9,13-15H,3-8,10-12H2,1-2H3;2*(H,6,7)
InChIKeyQFIIUTOGQNVPRN-UHFFFAOYSA-N
MW520.47 g/mol
LogP2.88
Rot. Bonds5

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

N,N-dimethyl-2-[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethanamine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155832216) has the molecular formula C20H30F6N4O5 and a molecular weight of 520.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethanamine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN,N-dimethyl-2-[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethanamine;bis(2,2,2-trifluoroacetic acid)
PubChem CID155832216
Molecular FormulaC20H30F6N4O5
Molecular Weight520.47 g/mol
Exact Mass520.21
IUPAC NameN,N-dimethyl-2-[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethanamine;bis(2,2,2-trifluoroacetic acid)
SMILESCN(C)CCC1CN(CC2CCOCC2)Cc2cncn21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C16H28N4O.2C2HF3O2/c1-18(2)6-3-15-11-19(10-14-4-7-21-8-5-14)12-16-9-17-13-20(15)16;2*3-2(4,5)1(6)7/h9,13-15H,3-8,10-12H2,1-2H3;2*(H,6,7)
InChIKeyQFIIUTOGQNVPRN-UHFFFAOYSA-N
XLogP2.88
TPSA108.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.47
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-2-[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethanamine;bis(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

8-methyl-3-(oxan-4-ylmethoxymethyl)-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 118742734
8-methyl-7-(oxan-4-ylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 118743362
N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid
CID 118744239
1-(2-Methoxyethyl)-8-[(3-methylimidazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 118745702
1-[7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid)
CID 118745835
N-[[7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]-N-methylpropan-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 118745920
1-(7-Ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-methylpropan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 118745935
7-ethyl-N,N,3-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 118745937
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
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
1'-(Cyclopropylmethyl)-3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
CID 118747019
7-(cyclopropylmethyl)-8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
CID 118747147

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethanamine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N,N-dimethyl-2-[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethanamine;bis(2,2,2-trifluoroacetic acid) (CID 155832216) is N,N-dimethyl-2-[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethanamine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N,N-dimethyl-2-[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethanamine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N,N-dimethyl-2-[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethanamine;bis(2,2,2-trifluoroacetic acid) is CN(C)CCC1CN(CC2CCOCC2)Cc2cncn21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-2-[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethanamine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is QFIIUTOGQNVPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O.2C2HF3O2/c1-18(2)6-3-15-11-19(10-14-4-7-21-8-5-14)12-16-9-17-13-20(15)16;2*3-2(4,5)1(6)7/h9,13-15H,3-8,10-12H2,1-2H3;2*(H,6,7).
What are the key properties of N,N-dimethyl-2-[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethanamine;bis(2,2,2-trifluoroacetic acid)?
N,N-dimethyl-2-[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethanamine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 520.47 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethanamine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155832216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).