1-[(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone

C18H25N5O2 — CID 124960904

IUPAC1-[(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
SMILESCc1cc(N)cc([C@@H]2CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)n1
InChIInChI=1S/C18H25N5O2/c1-11-7-14(19)8-16(20-11)17-10-23(5-6-25-17)18(24)9-15-12(2)21-22(4)13(15)3/h7-8,17H,5-6,9-10H2,1-4H3,(H2,19,20)/t17-/m0/s1
InChIKeyGXTWLZJMIMXRJK-KRWDZBQOSA-N
MW343.43 g/mol
LogP1.47
Rot. Bonds3

About 1-[(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone

1-[(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone (PubChem CID 124960904) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
PubChem CID124960904
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
SMILESCc1cc(N)cc([C@@H]2CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)n1
InChIInChI=1S/C18H25N5O2/c1-11-7-14(19)8-16(20-11)17-10-23(5-6-25-17)18(24)9-15-12(2)21-22(4)13(15)3/h7-8,17H,5-6,9-10H2,1-4H3,(H2,19,20)/t17-/m0/s1
InChIKeyGXTWLZJMIMXRJK-KRWDZBQOSA-N
XLogP1.47
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 110118994
1-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 124961996
1-(2-methylmorpholin-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 43041355
1-[2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 110113401
1-[(2R)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-2-(3-methoxyphenyl)ethanone
CID 125010044
1-[2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-2-(2-fluorophenoxy)ethanone
CID 110113412
[(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
CID 125027257
[2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
CID 110113366
1-(2-phenylmorpholin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 134040069
2-[(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-6-methylpyridin-4-amine
CID 124982771
[(2R)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-(2,3-dihydro-1H-inden-5-yl)methanone
CID 124955708
[(2R)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-(3-fluoro-4-methylphenyl)methanone
CID 124951632

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The IUPAC name of 1-[(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone (CID 124960904) is 1-[(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-[(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-[(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone is Cc1cc(N)cc([C@@H]2CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)n1.
What is the InChIKey of 1-[(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The InChIKey is GXTWLZJMIMXRJK-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-11-7-14(19)8-16(20-11)17-10-23(5-6-25-17)18(24)9-15-12(2)21-22(4)13(15)3/h7-8,17H,5-6,9-10H2,1-4H3,(H2,19,20)/t17-/m0/s1.
What are the key properties of 1-[(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
1-[(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone has a molecular weight of 343.43 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 124960904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).