(2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(4-fluorophenyl)acetamide

C18H23FN4O2 — CID 95276667

IUPAC(2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(4-fluorophenyl)acetamide
SMILESCc1cc(C)n(C[C@@H]2CN([C@H](C(N)=O)c3ccc(F)cc3)CCO2)n1
InChIInChI=1S/C18H23FN4O2/c1-12-9-13(2)23(21-12)11-16-10-22(7-8-25-16)17(18(20)24)14-3-5-15(19)6-4-14/h3-6,9,16-17H,7-8,10-11H2,1-2H3,(H2,20,24)/t16-,17-/m0/s1
InChIKeySNCHDRILXWRKPN-IRXDYDNUSA-N
MW346.41 g/mol
LogP1.57
Rot. Bonds5

About (2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(4-fluorophenyl)acetamide

(2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 95276667) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is (2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name(2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(4-fluorophenyl)acetamide
PubChem CID95276667
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name(2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(4-fluorophenyl)acetamide
SMILESCc1cc(C)n(C[C@@H]2CN([C@H](C(N)=O)c3ccc(F)cc3)CCO2)n1
InChIInChI=1S/C18H23FN4O2/c1-12-9-13(2)23(21-12)11-16-10-22(7-8-25-16)17(18(20)24)14-3-5-15(19)6-4-14/h3-6,9,16-17H,7-8,10-11H2,1-2H3,(H2,20,24)/t16-,17-/m0/s1
InChIKeySNCHDRILXWRKPN-IRXDYDNUSA-N
XLogP1.57
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of (2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(4-fluorophenyl)acetamide (CID 95276667) is (2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for (2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for (2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(4-fluorophenyl)acetamide is Cc1cc(C)n(C[C@@H]2CN([C@H](C(N)=O)c3ccc(F)cc3)CCO2)n1.
What is the InChIKey of (2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is SNCHDRILXWRKPN-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-12-9-13(2)23(21-12)11-16-10-22(7-8-25-16)17(18(20)24)14-3-5-15(19)6-4-14/h3-6,9,16-17H,7-8,10-11H2,1-2H3,(H2,20,24)/t16-,17-/m0/s1.
What are the key properties of (2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(4-fluorophenyl)acetamide?
(2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 346.41 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 95276667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).