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)

C23H32F9N5O6 — CID 118747147

IUPAC7-(cyclopropylmethyl)-8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
SMILESCC1c2ncc(CN3CCN(C)CC3)n2CCN1CC1CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C17H29N5.3C2HF3O2/c1-14-17-18-11-16(13-20-7-5-19(2)6-8-20)22(17)10-9-21(14)12-15-3-4-15;3*3-2(4,5)1(6)7/h11,14-15H,3-10,12-13H2,1-2H3;3*(H,6,7)
InChIKeyVDFRTMCAATZLSF-UHFFFAOYSA-N
MW645.52 g/mol
LogP3.32
Rot. Bonds4

About 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)

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) (PubChem CID 118747147) has the molecular formula C23H32F9N5O6 and a molecular weight of 645.52 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name7-(cyclopropylmethyl)-8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
PubChem CID118747147
Molecular FormulaC23H32F9N5O6
Molecular Weight645.52 g/mol
Exact Mass645.22
IUPAC Name7-(cyclopropylmethyl)-8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
SMILESCC1c2ncc(CN3CCN(C)CC3)n2CCN1CC1CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C17H29N5.3C2HF3O2/c1-14-17-18-11-16(13-20-7-5-19(2)6-8-20)22(17)10-9-21(14)12-15-3-4-15;3*3-2(4,5)1(6)7/h11,14-15H,3-10,12-13H2,1-2H3;3*(H,6,7)
InChIKeyVDFRTMCAATZLSF-UHFFFAOYSA-N
XLogP3.32
TPSA139.44 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500645.52
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 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) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CC1c2ncc(CN3CCN(C)CC3)n2CCN1CC1CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 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)?
The InChIKey is VDFRTMCAATZLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5.3C2HF3O2/c1-14-17-18-11-16(13-20-7-5-19(2)6-8-20)22(17)10-9-21(14)12-15-3-4-15;3*3-2(4,5)1(6)7/h11,14-15H,3-10,12-13H2,1-2H3;3*(H,6,7).
What are the key properties of 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)?
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) has a molecular weight of 645.52 g/mol, XLogP of 3.32, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 118747147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).