N-methyl-N-[[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)

C21H28F6N4O4S — CID 155848635

IUPACN-methyl-N-[[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)
SMILESCC(C)N(C)Cc1cnc2n1CCN(Cc1ccsc1)C2C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C17H26N4S.2C2HF3O2/c1-13(2)19(4)11-16-9-18-17-14(3)20(6-7-21(16)17)10-15-5-8-22-12-15;2*3-2(4,5)1(6)7/h5,8-9,12-14H,6-7,10-11H2,1-4H3;2*(H,6,7)
InChIKeyZIDOMTGETGNAKO-UHFFFAOYSA-N
MW546.53 g/mol
LogP4.63
Rot. Bonds5

About N-methyl-N-[[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)

N-methyl-N-[[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155848635) has the molecular formula C21H28F6N4O4S and a molecular weight of 546.53 g/mol. Its IUPAC name is N-methyl-N-[[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN-methyl-N-[[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)
PubChem CID155848635
Molecular FormulaC21H28F6N4O4S
Molecular Weight546.53 g/mol
Exact Mass546.17
IUPAC NameN-methyl-N-[[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)
SMILESCC(C)N(C)Cc1cnc2n1CCN(Cc1ccsc1)C2C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C17H26N4S.2C2HF3O2/c1-13(2)19(4)11-16-9-18-17-14(3)20(6-7-21(16)17)10-15-5-8-22-12-15;2*3-2(4,5)1(6)7/h5,8-9,12-14H,6-7,10-11H2,1-4H3;2*(H,6,7)
InChIKeyZIDOMTGETGNAKO-UHFFFAOYSA-N
XLogP4.63
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.53
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-methyl-N-[[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

N-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]propan-2-amine
CID 97467342
N-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine
CID 97471117
8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 118747086
N-[[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
CID 118743366
1-[2-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone;2,2,2-trifluoroacetic acid
CID 118743636
1-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone;2,2,2-trifluoroacetic acid
CID 118743650
1-[3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone;2,2,2-trifluoroacetic acid
CID 118743658
1-[2-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone;2,2,2-trifluoroacetic acid
CID 118744174
N-[[7-(thiophen-3-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 118744182
N,N-dimethyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 118745011
N-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 118745921
N-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 118745924

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N-methyl-N-[[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid) (CID 155848635) is N-methyl-N-[[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N-methyl-N-[[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N-methyl-N-[[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid) is CC(C)N(C)Cc1cnc2n1CCN(Cc1ccsc1)C2C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N-methyl-N-[[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is ZIDOMTGETGNAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4S.2C2HF3O2/c1-13(2)19(4)11-16-9-18-17-14(3)20(6-7-21(16)17)10-15-5-8-22-12-15;2*3-2(4,5)1(6)7/h5,8-9,12-14H,6-7,10-11H2,1-4H3;2*(H,6,7).
What are the key properties of N-methyl-N-[[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)?
N-methyl-N-[[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 546.53 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155848635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).