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

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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).