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

C20H27FN4O2 — CID 55799940

IUPACN-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)Nc1ccc(N2CC(C)OC(C)C2)c(F)c1
InChIInChI=1S/C20H27FN4O2/c1-12-10-25(11-13(2)27-12)19-7-6-16(8-18(19)21)22-20(26)9-17-14(3)23-24(5)15(17)4/h6-8,12-13H,9-11H2,1-5H3,(H,22,26)
InChIKeyWJVFEPZZQHRCEE-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.97
Rot. Bonds4

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

N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 55799940) has the molecular formula C20H27FN4O2 and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID55799940
Molecular FormulaC20H27FN4O2
Molecular Weight374.46 g/mol
Exact Mass374.21
IUPAC NameN-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)Nc1ccc(N2CC(C)OC(C)C2)c(F)c1
InChIInChI=1S/C20H27FN4O2/c1-12-10-25(11-13(2)27-12)19-7-6-16(8-18(19)21)22-20(26)9-17-14(3)23-24(5)15(17)4/h6-8,12-13H,9-11H2,1-5H3,(H,22,26)
InChIKeyWJVFEPZZQHRCEE-UHFFFAOYSA-N
XLogP2.97
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(4-sulfamoylphenyl)acetamide
CID 56511710
1-[2-[4-(2,6-dimethylmorpholin-4-yl)-3-fluoroanilino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 75461653
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 52538036
N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51118106
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 55878202
1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 94647091
1-cyclopropyl-3-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]urea
CID 47042942
(3S)-3-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluoroanilino]-2-oxoethyl]thiolane-3-carboxylic acid
CID 98765257
N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-4-(4-ethylphenyl)-4-oxobutanamide
CID 55868960
N-[2-fluoro-5-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]-3-morpholin-4-ylpropanamide
CID 55785751
1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-3-prop-2-enylurea
CID 94189699
2-methyl-4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzoic acid
CID 119240253

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 55799940) is N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)Nc1ccc(N2CC(C)OC(C)C2)c(F)c1.
What is the InChIKey of N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is WJVFEPZZQHRCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O2/c1-12-10-25(11-13(2)27-12)19-7-6-16(8-18(19)21)22-20(26)9-17-14(3)23-24(5)15(17)4/h6-8,12-13H,9-11H2,1-5H3,(H,22,26).
What are the key properties of N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 374.46 g/mol, XLogP of 2.97, 4 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]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 55799940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).