1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-(1,3-dimethylpyrazol-4-yl)propan-1-one

C19H27N5O2 — CID 125003433

About 1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-(1,3-dimethylpyrazol-4-yl)propan-1-one

1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-(1,3-dimethylpyrazol-4-yl)propan-1-one (PubChem CID 125003433) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-(1,3-dimethylpyrazol-4-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-(1,3-dimethylpyrazol-4-yl)propan-1-one
• PubChem CID: 125003433
• Molecular Formula: C19H27N5O2
• Molecular Weight: 357.46 g/mol
• Exact Mass: 357.22
• IUPAC Name: 1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-(1,3-dimethylpyrazol-4-yl)propan-1-one
• SMILES: Cc1nn(C)cc1CCC(=O)N1CCO[C@H](CCc2ccnc(N)c2)C1
• InChI: InChI=1S/C19H27N5O2/c1-14-16(12-23(2)22-14)4-6-19(25)24-9-10-26-17(13-24)5-3-15-7-8-21-18(20)11-15/h7-8,11-12,17H,3-6,9-10,13H2,1-2H3,(H2,20,21)/t17-/m1/s1
• InChIKey: SRMVZTOYVGYUNE-QGZVFWFLSA-N
• XLogP: 1.50
• TPSA: 86.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.46
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-(1,3-dimethylpyrazol-4-yl)propan-1-one?

The IUPAC name of 1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-(1,3-dimethylpyrazol-4-yl)propan-1-one (CID 125003433) is 1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-(1,3-dimethylpyrazol-4-yl)propan-1-one.

What is the SMILES notation for 1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-(1,3-dimethylpyrazol-4-yl)propan-1-one?

The canonical SMILES for 1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-(1,3-dimethylpyrazol-4-yl)propan-1-one is Cc1nn(C)cc1CCC(=O)N1CCO[C@H](CCc2ccnc(N)c2)C1.

What is the InChIKey of 1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-(1,3-dimethylpyrazol-4-yl)propan-1-one?

The InChIKey is SRMVZTOYVGYUNE-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-14-16(12-23(2)22-14)4-6-19(25)24-9-10-26-17(13-24)5-3-15-7-8-21-18(20)11-15/h7-8,11-12,17H,3-6,9-10,13H2,1-2H3,(H2,20,21)/t17-/m1/s1.

What are the key properties of 1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-(1,3-dimethylpyrazol-4-yl)propan-1-one?

1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-(1,3-dimethylpyrazol-4-yl)propan-1-one has a molecular weight of 357.46 g/mol, XLogP of 1.50, 6 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]-3-(1,3-dimethylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 125003433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).