N-[2-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]acetamide;bis(2,2,2-trifluoroacetic acid)

C20H28F6N6O6 — CID 118746397

IUPACN-[2-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]acetamide;bis(2,2,2-trifluoroacetic acid)
SMILESCC(=O)NCC(=O)N1CCn2cc(CN3CCN(C)CC3)nc2C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C16H26N6O2.2C2HF3O2/c1-13(23)17-9-16(24)22-8-7-21-11-14(18-15(21)12-22)10-20-5-3-19(2)4-6-20;2*3-2(4,5)1(6)7/h11H,3-10,12H2,1-2H3,(H,17,23);2*(H,6,7)
InChIKeyOCRCOQQPPFXPPL-UHFFFAOYSA-N
MW562.47 g/mol
LogP0.38
Rot. Bonds4

About N-[2-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]acetamide;bis(2,2,2-trifluoroacetic acid)

N-[2-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]acetamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118746397) has the molecular formula C20H28F6N6O6 and a molecular weight of 562.47 g/mol. Its IUPAC name is N-[2-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]acetamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN-[2-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]acetamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID118746397
Molecular FormulaC20H28F6N6O6
Molecular Weight562.47 g/mol
Exact Mass562.20
IUPAC NameN-[2-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]acetamide;bis(2,2,2-trifluoroacetic acid)
SMILESCC(=O)NCC(=O)N1CCn2cc(CN3CCN(C)CC3)nc2C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C16H26N6O2.2C2HF3O2/c1-13(23)17-9-16(24)22-8-7-21-11-14(18-15(21)12-22)10-20-5-3-19(2)4-6-20;2*3-2(4,5)1(6)7/h11H,3-10,12H2,1-2H3,(H,17,23);2*(H,6,7)
InChIKeyOCRCOQQPPFXPPL-UHFFFAOYSA-N
XLogP0.38
TPSA148.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.47
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[2-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]acetamide;bis(2,2,2-trifluoroacetic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]acetamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N-[2-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]acetamide;bis(2,2,2-trifluoroacetic acid) (CID 118746397) is N-[2-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]acetamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N-[2-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]acetamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N-[2-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]acetamide;bis(2,2,2-trifluoroacetic acid) is CC(=O)NCC(=O)N1CCn2cc(CN3CCN(C)CC3)nc2C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N-[2-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]acetamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is OCRCOQQPPFXPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2.2C2HF3O2/c1-13(23)17-9-16(24)22-8-7-21-11-14(18-15(21)12-22)10-20-5-3-19(2)4-6-20;2*3-2(4,5)1(6)7/h11H,3-10,12H2,1-2H3,(H,17,23);2*(H,6,7).
What are the key properties of N-[2-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]acetamide;bis(2,2,2-trifluoroacetic acid)?
N-[2-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]acetamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 562.47 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]acetamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118746397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).