N-[2-(1-phenylpyrazol-4-yl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-7-carboxamide;2,2,2-trifluoroacetic acid

C22H24F3N5O3 — CID 166310223

IUPACN-[2-(1-phenylpyrazol-4-yl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCCc1cnn(-c2ccccc2)c1)C1CCc2nccn2CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H23N5O.C2HF3O2/c26-20(17-6-7-19-21-11-13-24(19)12-9-17)22-10-8-16-14-23-25(15-16)18-4-2-1-3-5-18;3-2(4,5)1(6)7/h1-5,11,13-15,17H,6-10,12H2,(H,22,26);(H,6,7)
InChIKeyHEZYYKNQGQTMHQ-UHFFFAOYSA-N
MW463.46 g/mol
LogP3.01
Rot. Bonds5

About N-[2-(1-phenylpyrazol-4-yl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-7-carboxamide;2,2,2-trifluoroacetic acid

N-[2-(1-phenylpyrazol-4-yl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-7-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 166310223) has the molecular formula C22H24F3N5O3 and a molecular weight of 463.46 g/mol. Its IUPAC name is N-[2-(1-phenylpyrazol-4-yl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-7-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[2-(1-phenylpyrazol-4-yl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-7-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID166310223
Molecular FormulaC22H24F3N5O3
Molecular Weight463.46 g/mol
Exact Mass463.18
IUPAC NameN-[2-(1-phenylpyrazol-4-yl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCCc1cnn(-c2ccccc2)c1)C1CCc2nccn2CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H23N5O.C2HF3O2/c26-20(17-6-7-19-21-11-13-24(19)12-9-17)22-10-8-16-14-23-25(15-16)18-4-2-1-3-5-18;3-2(4,5)1(6)7/h1-5,11,13-15,17H,6-10,12H2,(H,22,26);(H,6,7)
InChIKeyHEZYYKNQGQTMHQ-UHFFFAOYSA-N
XLogP3.01
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.46
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(1-phenylpyrazol-4-yl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-7-carboxamide;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-pentyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-4-carboxamide
CID 55717821
2-(2-chlorophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
CID 134000864
1-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]azepane-2-carboxamide
CID 72864530
1-(2-methoxyethyl)-6-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]piperidine-3-carboxamide
CID 45236878
N-[2-(4-methylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 112528929
2,3-difluoro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 146122367
1-benzyl-1-cyclopropyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea
CID 55793583
N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 112527700
2-(3-hydroxypiperidin-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 110884110
6-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 16613764
2-methyl-3-oxo-3-[2-(1-phenylpyrazol-4-yl)ethylamino]propanoic acid
CID 122065245
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442082

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-phenylpyrazol-4-yl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-7-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[2-(1-phenylpyrazol-4-yl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-7-carboxamide;2,2,2-trifluoroacetic acid (CID 166310223) is N-[2-(1-phenylpyrazol-4-yl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-7-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[2-(1-phenylpyrazol-4-yl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-7-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[2-(1-phenylpyrazol-4-yl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-7-carboxamide;2,2,2-trifluoroacetic acid is O=C(NCCc1cnn(-c2ccccc2)c1)C1CCc2nccn2CC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[2-(1-phenylpyrazol-4-yl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-7-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is HEZYYKNQGQTMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O.C2HF3O2/c26-20(17-6-7-19-21-11-13-24(19)12-9-17)22-10-8-16-14-23-25(15-16)18-4-2-1-3-5-18;3-2(4,5)1(6)7/h1-5,11,13-15,17H,6-10,12H2,(H,22,26);(H,6,7).
What are the key properties of N-[2-(1-phenylpyrazol-4-yl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-7-carboxamide;2,2,2-trifluoroacetic acid?
N-[2-(1-phenylpyrazol-4-yl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-7-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 463.46 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-phenylpyrazol-4-yl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-7-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166310223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).