morpholin-4-yl-(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methanone

C15H17N5O2 — CID 163354113

IUPACmorpholin-4-yl-(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methanone
SMILESO=C(C1CN(c2ncnc3cnccc23)C1)N1CCOCC1
InChIInChI=1S/C15H17N5O2/c21-15(19-3-5-22-6-4-19)11-8-20(9-11)14-12-1-2-16-7-13(12)17-10-18-14/h1-2,7,10-11H,3-6,8-9H2
InChIKeyAILYUWTUURNLNR-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.32
Rot. Bonds2

About morpholin-4-yl-(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methanone

morpholin-4-yl-(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methanone (PubChem CID 163354113) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is morpholin-4-yl-(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methanone
PubChem CID163354113
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Namemorpholin-4-yl-(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methanone
SMILESO=C(C1CN(c2ncnc3cnccc23)C1)N1CCOCC1
InChIInChI=1S/C15H17N5O2/c21-15(19-3-5-22-6-4-19)11-8-20(9-11)14-12-1-2-16-7-13(12)17-10-18-14/h1-2,7,10-11H,3-6,8-9H2
InChIKeyAILYUWTUURNLNR-UHFFFAOYSA-N
XLogP0.32
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze morpholin-4-yl-(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methanone 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 morpholin-4-yl-(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methanone?
The IUPAC name of morpholin-4-yl-(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methanone (CID 163354113) is morpholin-4-yl-(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methanone.
What is the SMILES notation for morpholin-4-yl-(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methanone?
The canonical SMILES for morpholin-4-yl-(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methanone is O=C(C1CN(c2ncnc3cnccc23)C1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methanone?
The InChIKey is AILYUWTUURNLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c21-15(19-3-5-22-6-4-19)11-8-20(9-11)14-12-1-2-16-7-13(12)17-10-18-14/h1-2,7,10-11H,3-6,8-9H2.
What are the key properties of morpholin-4-yl-(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methanone?
morpholin-4-yl-(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methanone has a molecular weight of 299.33 g/mol, XLogP of 0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methanone is sourced from PubChem (CID 163354113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).