1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone

C17H23N5O2 — CID 125024579

IUPAC1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone
SMILESCc1cnn(CC(=O)N2CCO[C@H](CCc3ccnc(N)c3)C2)c1
InChIInChI=1S/C17H23N5O2/c1-13-9-20-22(10-13)12-17(23)21-6-7-24-15(11-21)3-2-14-4-5-19-16(18)8-14/h4-5,8-10,15H,2-3,6-7,11-12H2,1H3,(H2,18,19)/t15-/m1/s1
InChIKeyZGRRUXSONWTBGA-OAHLLOKOSA-N
MW329.40 g/mol
LogP1.03
Rot. Bonds5

About 1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone

1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone (PubChem CID 125024579) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone
PubChem CID125024579
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone
SMILESCc1cnn(CC(=O)N2CCO[C@H](CCc3ccnc(N)c3)C2)c1
InChIInChI=1S/C17H23N5O2/c1-13-9-20-22(10-13)12-17(23)21-6-7-24-15(11-21)3-2-14-4-5-19-16(18)8-14/h4-5,8-10,15H,2-3,6-7,11-12H2,1H3,(H2,18,19)/t15-/m1/s1
InChIKeyZGRRUXSONWTBGA-OAHLLOKOSA-N
XLogP1.03
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The IUPAC name of 1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone (CID 125024579) is 1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone is Cc1cnn(CC(=O)N2CCO[C@H](CCc3ccnc(N)c3)C2)c1.
What is the InChIKey of 1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The InChIKey is ZGRRUXSONWTBGA-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-13-9-20-22(10-13)12-17(23)21-6-7-24-15(11-21)3-2-14-4-5-19-16(18)8-14/h4-5,8-10,15H,2-3,6-7,11-12H2,1H3,(H2,18,19)/t15-/m1/s1.
What are the key properties of 1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone?
1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone has a molecular weight of 329.40 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone is sourced from PubChem (CID 125024579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).