4-[2-(1H-indazol-4-yl)-6-(pyridin-4-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine

C24H22N6O2S — CID 59592871

IUPAC4-[2-(1H-indazol-4-yl)-6-(pyridin-4-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESc1cc(-c2nc(N3CCOCC3)c3sc(COCc4ccncc4)cc3n2)c2cn[nH]c2c1
InChIInChI=1S/C24H22N6O2S/c1-2-18(19-13-26-29-20(19)3-1)23-27-21-12-17(15-32-14-16-4-6-25-7-5-16)33-22(21)24(28-23)30-8-10-31-11-9-30/h1-7,12-13H,8-11,14-15H2,(H,26,29)
InChIKeyUTIBOKQOUFWJBY-UHFFFAOYSA-N
MW458.55 g/mol
LogP4.18
Rot. Bonds6

About 4-[2-(1H-indazol-4-yl)-6-(pyridin-4-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine

4-[2-(1H-indazol-4-yl)-6-(pyridin-4-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 59592871) has the molecular formula C24H22N6O2S and a molecular weight of 458.55 g/mol. Its IUPAC name is 4-[2-(1H-indazol-4-yl)-6-(pyridin-4-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(1H-indazol-4-yl)-6-(pyridin-4-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID59592871
Molecular FormulaC24H22N6O2S
Molecular Weight458.55 g/mol
Exact Mass458.15
IUPAC Name4-[2-(1H-indazol-4-yl)-6-(pyridin-4-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESc1cc(-c2nc(N3CCOCC3)c3sc(COCc4ccncc4)cc3n2)c2cn[nH]c2c1
InChIInChI=1S/C24H22N6O2S/c1-2-18(19-13-26-29-20(19)3-1)23-27-21-12-17(15-32-14-16-4-6-25-7-5-16)33-22(21)24(28-23)30-8-10-31-11-9-30/h1-7,12-13H,8-11,14-15H2,(H,26,29)
InChIKeyUTIBOKQOUFWJBY-UHFFFAOYSA-N
XLogP4.18
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.55
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[2-(1H-indazol-4-yl)-6-(pyridin-4-ylmethoxymethyl)thieno[3,2-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)-6-(pyridin-4-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(1H-indazol-4-yl)-6-(pyridin-4-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine (CID 59592871) is 4-[2-(1H-indazol-4-yl)-6-(pyridin-4-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(1H-indazol-4-yl)-6-(pyridin-4-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(1H-indazol-4-yl)-6-(pyridin-4-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine is c1cc(-c2nc(N3CCOCC3)c3sc(COCc4ccncc4)cc3n2)c2cn[nH]c2c1.
What is the InChIKey of 4-[2-(1H-indazol-4-yl)-6-(pyridin-4-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is UTIBOKQOUFWJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2S/c1-2-18(19-13-26-29-20(19)3-1)23-27-21-12-17(15-32-14-16-4-6-25-7-5-16)33-22(21)24(28-23)30-8-10-31-11-9-30/h1-7,12-13H,8-11,14-15H2,(H,26,29).
What are the key properties of 4-[2-(1H-indazol-4-yl)-6-(pyridin-4-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
4-[2-(1H-indazol-4-yl)-6-(pyridin-4-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 458.55 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-indazol-4-yl)-6-(pyridin-4-ylmethoxymethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 59592871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).