N-[2-[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]benzamide;2,2,2-trifluoroacetic acid

C22H23F3N4O4 — CID 155826888

IUPACN-[2-[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]benzamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCCC1CN(Cc2ccoc2)Cc2ccnn21)c1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H22N4O2.C2HF3O2/c25-20(17-4-2-1-3-5-17)21-9-6-18-13-23(12-16-8-11-26-15-16)14-19-7-10-22-24(18)19;3-2(4,5)1(6)7/h1-5,7-8,10-11,15,18H,6,9,12-14H2,(H,21,25);(H,6,7)
InChIKeyIODDFYMUGJIGOH-UHFFFAOYSA-N
MW464.44 g/mol
LogP3.49
Rot. Bonds6

About N-[2-[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]benzamide;2,2,2-trifluoroacetic acid

N-[2-[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]benzamide;2,2,2-trifluoroacetic acid (PubChem CID 155826888) has the molecular formula C22H23F3N4O4 and a molecular weight of 464.44 g/mol. Its IUPAC name is N-[2-[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]benzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[2-[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]benzamide;2,2,2-trifluoroacetic acid
PubChem CID155826888
Molecular FormulaC22H23F3N4O4
Molecular Weight464.44 g/mol
Exact Mass464.17
IUPAC NameN-[2-[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]benzamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCCC1CN(Cc2ccoc2)Cc2ccnn21)c1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H22N4O2.C2HF3O2/c25-20(17-4-2-1-3-5-17)21-9-6-18-13-23(12-16-8-11-26-15-16)14-19-7-10-22-24(18)19;3-2(4,5)1(6)7/h1-5,7-8,10-11,15,18H,6,9,12-14H2,(H,21,25);(H,6,7)
InChIKeyIODDFYMUGJIGOH-UHFFFAOYSA-N
XLogP3.49
TPSA100.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.44
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]benzamide;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

Related Compounds

N-[2-[(7S)-5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyridine-3-carboxamide
CID 124781266
3-[2-[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1,1-dimethylurea
CID 131660122
N-[[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155866383
N-[2-[5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155863842
N-[2-[(7R)-5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1-methylpyrrole-2-carboxamide
CID 124813571
1-methyl-N-[2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155861974
N-[2-[5-[(3,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155864436
2-methyl-N-[2-[5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrazole-3-carboxamide
CID 131677911
2-[5-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-dimethylethanamine;bis(2,2,2-trifluoroacetic acid)
CID 155847601
N-[2-[5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
CID 171695506
N-[2-[5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155861935
2-[5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide;2,2,2-trifluoroacetic acid
CID 155863599

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]benzamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[2-[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]benzamide;2,2,2-trifluoroacetic acid (CID 155826888) is N-[2-[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]benzamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[2-[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]benzamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[2-[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]benzamide;2,2,2-trifluoroacetic acid is O=C(NCCC1CN(Cc2ccoc2)Cc2ccnn21)c1ccccc1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[2-[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]benzamide;2,2,2-trifluoroacetic acid?
The InChIKey is IODDFYMUGJIGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2.C2HF3O2/c25-20(17-4-2-1-3-5-17)21-9-6-18-13-23(12-16-8-11-26-15-16)14-19-7-10-22-24(18)19;3-2(4,5)1(6)7/h1-5,7-8,10-11,15,18H,6,9,12-14H2,(H,21,25);(H,6,7).
What are the key properties of N-[2-[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]benzamide;2,2,2-trifluoroacetic acid?
N-[2-[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]benzamide;2,2,2-trifluoroacetic acid has a molecular weight of 464.44 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]benzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155826888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).