[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chlorophenyl]-(1,2-oxazolidin-2-yl)methanone

C23H20ClN5O2 — CID 58073071

IUPAC[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chlorophenyl]-(1,2-oxazolidin-2-yl)methanone
SMILESCCc1ncnc(-c2ccc(C(=O)N3CCCO3)c(Cl)c2)c1C#Cc1ccc(N)nc1
InChIInChI=1S/C23H20ClN5O2/c1-2-20-18(7-4-15-5-9-21(25)26-13-15)22(28-14-27-20)16-6-8-17(19(24)12-16)23(30)29-10-3-11-31-29/h5-6,8-9,12-14H,2-3,10-11H2,1H3,(H2,25,26)
InChIKeyKQUCUYUNGWREBC-UHFFFAOYSA-N
MW433.90 g/mol
LogP3.51
Rot. Bonds3

About [4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chlorophenyl]-(1,2-oxazolidin-2-yl)methanone

[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chlorophenyl]-(1,2-oxazolidin-2-yl)methanone (PubChem CID 58073071) has the molecular formula C23H20ClN5O2 and a molecular weight of 433.90 g/mol. Its IUPAC name is [4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chlorophenyl]-(1,2-oxazolidin-2-yl)methanone.

Molecular Properties

Compound Name[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chlorophenyl]-(1,2-oxazolidin-2-yl)methanone
PubChem CID58073071
Molecular FormulaC23H20ClN5O2
Molecular Weight433.90 g/mol
Exact Mass433.13
IUPAC Name[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chlorophenyl]-(1,2-oxazolidin-2-yl)methanone
SMILESCCc1ncnc(-c2ccc(C(=O)N3CCCO3)c(Cl)c2)c1C#Cc1ccc(N)nc1
InChIInChI=1S/C23H20ClN5O2/c1-2-20-18(7-4-15-5-9-21(25)26-13-15)22(28-14-27-20)16-6-8-17(19(24)12-16)23(30)29-10-3-11-31-29/h5-6,8-9,12-14H,2-3,10-11H2,1H3,(H2,25,26)
InChIKeyKQUCUYUNGWREBC-UHFFFAOYSA-N
XLogP3.51
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chlorophenyl]-(1,2-oxazolidin-2-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 [4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chlorophenyl]-(1,2-oxazolidin-2-yl)methanone?
The IUPAC name of [4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chlorophenyl]-(1,2-oxazolidin-2-yl)methanone (CID 58073071) is [4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chlorophenyl]-(1,2-oxazolidin-2-yl)methanone.
What is the SMILES notation for [4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chlorophenyl]-(1,2-oxazolidin-2-yl)methanone?
The canonical SMILES for [4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chlorophenyl]-(1,2-oxazolidin-2-yl)methanone is CCc1ncnc(-c2ccc(C(=O)N3CCCO3)c(Cl)c2)c1C#Cc1ccc(N)nc1.
What is the InChIKey of [4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chlorophenyl]-(1,2-oxazolidin-2-yl)methanone?
The InChIKey is KQUCUYUNGWREBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O2/c1-2-20-18(7-4-15-5-9-21(25)26-13-15)22(28-14-27-20)16-6-8-17(19(24)12-16)23(30)29-10-3-11-31-29/h5-6,8-9,12-14H,2-3,10-11H2,1H3,(H2,25,26).
What are the key properties of [4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chlorophenyl]-(1,2-oxazolidin-2-yl)methanone?
[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chlorophenyl]-(1,2-oxazolidin-2-yl)methanone has a molecular weight of 433.90 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chlorophenyl]-(1,2-oxazolidin-2-yl)methanone is sourced from PubChem (CID 58073071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).