N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide

C26H31FN4O2 — CID 55878202

IUPACN-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1ccc(N2CC(C)OC(C)C2)c(F)c1
InChIInChI=1S/C26H31FN4O2/c1-17-15-30(16-18(2)33-17)25-11-10-21(12-24(25)27)14-28-26(32)13-23-19(3)29-31(20(23)4)22-8-6-5-7-9-22/h5-12,17-18H,13-16H2,1-4H3,(H,28,32)
InChIKeySSUFMONYEAFOPQ-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.10
Rot. Bonds6

About N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide

N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (PubChem CID 55878202) has the molecular formula C26H31FN4O2 and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
PubChem CID55878202
Molecular FormulaC26H31FN4O2
Molecular Weight450.56 g/mol
Exact Mass450.24
IUPAC NameN-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1ccc(N2CC(C)OC(C)C2)c(F)c1
InChIInChI=1S/C26H31FN4O2/c1-17-15-30(16-18(2)33-17)25-11-10-21(12-24(25)27)14-28-26(32)13-23-19(3)29-31(20(23)4)22-8-6-5-7-9-22/h5-12,17-18H,13-16H2,1-4H3,(H,28,32)
InChIKeySSUFMONYEAFOPQ-UHFFFAOYSA-N
XLogP4.10
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]acetamide
CID 96582200
CID 89224809
CID 89224809
N-[(4-bromophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 25106227
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone
CID 29196845
N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 55799940
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9377721
3-bromo-N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-1H-indole-2-carboxamide
CID 55993730
N-[(4-cyanophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 25106481
N-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methyl]-3-methylfuran-2-carboxamide
CID 94617347
5-chloro-N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]furan-2-carboxamide
CID 55877945
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(4-nitrophenyl)methyl]acetamide
CID 25106305
1-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-(2-pyridin-2-ylethyl)urea
CID 60546795

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (CID 55878202) is N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1ccc(N2CC(C)OC(C)C2)c(F)c1.
What is the InChIKey of N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The InChIKey is SSUFMONYEAFOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O2/c1-17-15-30(16-18(2)33-17)25-11-10-21(12-24(25)27)14-28-26(32)13-23-19(3)29-31(20(23)4)22-8-6-5-7-9-22/h5-12,17-18H,13-16H2,1-4H3,(H,28,32).
What are the key properties of N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide has a molecular weight of 450.56 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 55878202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).