1-[(2R)-2-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one

C17H22N4O2 — CID 124958096

IUPAC1-[(2R)-2-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one
SMILESCCC(=O)N1CCO[C@@H](c2cc(-c3cnn(C)c3)cc(C)n2)C1
InChIInChI=1S/C17H22N4O2/c1-4-17(22)21-5-6-23-16(11-21)15-8-13(7-12(2)19-15)14-9-18-20(3)10-14/h7-10,16H,4-6,11H2,1-3H3/t16-/m1/s1
InChIKeyGDSMROLQIYZWAP-MRXNPFEDSA-N
MW314.39 g/mol
LogP2.10
Rot. Bonds3

About 1-[(2R)-2-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one

1-[(2R)-2-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one (PubChem CID 124958096) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[(2R)-2-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one
PubChem CID124958096
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-[(2R)-2-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one
SMILESCCC(=O)N1CCO[C@@H](c2cc(-c3cnn(C)c3)cc(C)n2)C1
InChIInChI=1S/C17H22N4O2/c1-4-17(22)21-5-6-23-16(11-21)15-8-13(7-12(2)19-15)14-9-18-20(3)10-14/h7-10,16H,4-6,11H2,1-3H3/t16-/m1/s1
InChIKeyGDSMROLQIYZWAP-MRXNPFEDSA-N
XLogP2.10
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-2-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one with MolForge

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Related Compounds

1-methyl-3-[2-[(2S)-2-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]benzimidazol-2-one
CID 124967598
1-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]morpholin-4-yl]-4-(azepan-1-yl)butan-1-one
CID 125000862
4-(azepan-1-yl)-1-[(2S)-2-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]butan-1-one
CID 125011261
1-[(2S)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 125007770
1-[(3S)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 95813929
butyl 3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]azetidine-1-carboxylate
CID 175790335
[3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 110264830
1-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 110252451
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95813935
(1-ethylpyrazol-4-yl)-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 110113502
1-[(2R)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(3-chlorophenyl)propan-1-one
CID 124986015
1-[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-2-pyrrolidin-1-ylethanone
CID 110113531

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one?
The IUPAC name of 1-[(2R)-2-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one (CID 124958096) is 1-[(2R)-2-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one.
What is the SMILES notation for 1-[(2R)-2-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one?
The canonical SMILES for 1-[(2R)-2-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one is CCC(=O)N1CCO[C@@H](c2cc(-c3cnn(C)c3)cc(C)n2)C1.
What is the InChIKey of 1-[(2R)-2-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one?
The InChIKey is GDSMROLQIYZWAP-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-4-17(22)21-5-6-23-16(11-21)15-8-13(7-12(2)19-15)14-9-18-20(3)10-14/h7-10,16H,4-6,11H2,1-3H3/t16-/m1/s1.
What are the key properties of 1-[(2R)-2-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one?
1-[(2R)-2-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one has a molecular weight of 314.39 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one is sourced from PubChem (CID 124958096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).