4-[2-(1H-indazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine

C17H15N5OS — CID 56833539

IUPAC4-[2-(1H-indazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine
SMILESc1cc(-c2nc(N3CCOCC3)c3ccsc3n2)c2cn[nH]c2c1
InChIInChI=1S/C17H15N5OS/c1-2-11(13-10-18-21-14(13)3-1)15-19-16(22-5-7-23-8-6-22)12-4-9-24-17(12)20-15/h1-4,9-10H,5-8H2,(H,18,21)
InChIKeyJFOPZQXMAMQTAU-UHFFFAOYSA-N
MW337.41 g/mol
LogP3.07
Rot. Bonds2

About 4-[2-(1H-indazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine

4-[2-(1H-indazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine (PubChem CID 56833539) has the molecular formula C17H15N5OS and a molecular weight of 337.41 g/mol. Its IUPAC name is 4-[2-(1H-indazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(1H-indazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine
PubChem CID56833539
Molecular FormulaC17H15N5OS
Molecular Weight337.41 g/mol
Exact Mass337.10
IUPAC Name4-[2-(1H-indazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine
SMILESc1cc(-c2nc(N3CCOCC3)c3ccsc3n2)c2cn[nH]c2c1
InChIInChI=1S/C17H15N5OS/c1-2-11(13-10-18-21-14(13)3-1)15-19-16(22-5-7-23-8-6-22)12-4-9-24-17(12)20-15/h1-4,9-10H,5-8H2,(H,18,21)
InChIKeyJFOPZQXMAMQTAU-UHFFFAOYSA-N
XLogP3.07
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-(1H-indazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine 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-[2-(1H-indazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(1H-indazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine (CID 56833539) is 4-[2-(1H-indazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(1H-indazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(1H-indazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine is c1cc(-c2nc(N3CCOCC3)c3ccsc3n2)c2cn[nH]c2c1.
What is the InChIKey of 4-[2-(1H-indazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is JFOPZQXMAMQTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS/c1-2-11(13-10-18-21-14(13)3-1)15-19-16(22-5-7-23-8-6-22)12-4-9-24-17(12)20-15/h1-4,9-10H,5-8H2,(H,18,21).
What are the key properties of 4-[2-(1H-indazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
4-[2-(1H-indazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 337.41 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-indazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 56833539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).