N-[2-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]-2-oxoethyl]acetamide;2,2,2-trifluoroacetic acid

C19H28F3N5O5 — CID 155823645

IUPACN-[2-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]-2-oxoethyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)NCC(=O)N1CC[C@@H](N2CCOCC2)[C@@H]1Cc1cnn(C)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H27N5O3.C2HF3O2/c1-13(23)18-11-17(24)22-4-3-15(21-5-7-25-8-6-21)16(22)9-14-10-19-20(2)12-14;3-2(4,5)1(6)7/h10,12,15-16H,3-9,11H2,1-2H3,(H,18,23);(H,6,7)/t15-,16+;/m1./s1
InChIKeyRHWSKHJXQVGMEM-RCPFAERMSA-N
MW463.46 g/mol
LogP0.03
Rot. Bonds5

About N-[2-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]-2-oxoethyl]acetamide;2,2,2-trifluoroacetic acid

N-[2-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]-2-oxoethyl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 155823645) has the molecular formula C19H28F3N5O5 and a molecular weight of 463.46 g/mol. Its IUPAC name is N-[2-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]-2-oxoethyl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[2-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]-2-oxoethyl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID155823645
Molecular FormulaC19H28F3N5O5
Molecular Weight463.46 g/mol
Exact Mass463.20
IUPAC NameN-[2-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]-2-oxoethyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)NCC(=O)N1CC[C@@H](N2CCOCC2)[C@@H]1Cc1cnn(C)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H27N5O3.C2HF3O2/c1-13(23)18-11-17(24)22-4-3-15(21-5-7-25-8-6-21)16(22)9-14-10-19-20(2)12-14;3-2(4,5)1(6)7/h10,12,15-16H,3-9,11H2,1-2H3,(H,18,23);(H,6,7)/t15-,16+;/m1./s1
InChIKeyRHWSKHJXQVGMEM-RCPFAERMSA-N
XLogP0.03
TPSA117.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.46
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]-2-oxoethyl]acetamide;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

4-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]morpholine;bis(2,2,2-trifluoroacetic acid)
CID 127022310
1-methyl-4-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]piperazine;tris(2,2,2-trifluoroacetic acid)
CID 127022353
1-methyl-4-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxolan-3-yl)pyrrolidin-3-yl]piperazine;tris(2,2,2-trifluoroacetic acid)
CID 127022356
(2S,3R)-N-cyclopentyl-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 127023907
4-[2-(1-Methylpyrazol-4-yl)pyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid
CID 146279203
ethyl 3-[[(2R)-2-amino-3-(1-methylpyrazol-4-yl)propanoyl]amino]-3-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoate;hydrochloride
CID 178265501
2-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 128992597
2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 128995571
N-[1-(1-methylpyrazol-4-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 154889469
(2S,4R)-4-amino-N-ethyl-1-[3-(1-methylpyrazol-4-yl)propanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154895606
(2S,3R)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)pyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 155826796
2-[(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155826804

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]-2-oxoethyl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[2-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]-2-oxoethyl]acetamide;2,2,2-trifluoroacetic acid (CID 155823645) is N-[2-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]-2-oxoethyl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[2-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]-2-oxoethyl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[2-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]-2-oxoethyl]acetamide;2,2,2-trifluoroacetic acid is CC(=O)NCC(=O)N1CC[C@@H](N2CCOCC2)[C@@H]1Cc1cnn(C)c1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[2-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]-2-oxoethyl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is RHWSKHJXQVGMEM-RCPFAERMSA-N. The full InChI is InChI=1S/C17H27N5O3.C2HF3O2/c1-13(23)18-11-17(24)22-4-3-15(21-5-7-25-8-6-21)16(22)9-14-10-19-20(2)12-14;3-2(4,5)1(6)7/h10,12,15-16H,3-9,11H2,1-2H3,(H,18,23);(H,6,7)/t15-,16+;/m1./s1.
What are the key properties of N-[2-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]-2-oxoethyl]acetamide;2,2,2-trifluoroacetic acid?
N-[2-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]-2-oxoethyl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 463.46 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]-2-oxoethyl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155823645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).