4-[2-(1H-indazol-4-yl)-6-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine

C26H32N6O3S — CID 11613134

IUPAC4-[2-(1H-indazol-4-yl)-6-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESCOCCOC1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C26H32N6O3S/c1-33-13-14-35-18-5-7-31(8-6-18)17-19-15-23-24(36-19)26(32-9-11-34-12-10-32)29-25(28-23)20-3-2-4-22-21(20)16-27-30-22/h2-4,15-16,18H,5-14,17H2,1H3,(H,27,30)
InChIKeyXNKQSGWMIGLMDP-UHFFFAOYSA-N
MW508.65 g/mol
LogP3.70
Rot. Bonds8

About 4-[2-(1H-indazol-4-yl)-6-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine

4-[2-(1H-indazol-4-yl)-6-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 11613134) has the molecular formula C26H32N6O3S and a molecular weight of 508.65 g/mol. Its IUPAC name is 4-[2-(1H-indazol-4-yl)-6-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(1H-indazol-4-yl)-6-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID11613134
Molecular FormulaC26H32N6O3S
Molecular Weight508.65 g/mol
Exact Mass508.23
IUPAC Name4-[2-(1H-indazol-4-yl)-6-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESCOCCOC1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C26H32N6O3S/c1-33-13-14-35-18-5-7-31(8-6-18)17-19-15-23-24(36-19)26(32-9-11-34-12-10-32)29-25(28-23)20-3-2-4-22-21(20)16-27-30-22/h2-4,15-16,18H,5-14,17H2,1H3,(H,27,30)
InChIKeyXNKQSGWMIGLMDP-UHFFFAOYSA-N
XLogP3.70
TPSA88.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.65
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-[2-(1H-indazol-4-yl)-6-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]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-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(1H-indazol-4-yl)-6-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine (CID 11613134) is 4-[2-(1H-indazol-4-yl)-6-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(1H-indazol-4-yl)-6-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(1H-indazol-4-yl)-6-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine is COCCOC1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1.
What is the InChIKey of 4-[2-(1H-indazol-4-yl)-6-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is XNKQSGWMIGLMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O3S/c1-33-13-14-35-18-5-7-31(8-6-18)17-19-15-23-24(36-19)26(32-9-11-34-12-10-32)29-25(28-23)20-3-2-4-22-21(20)16-27-30-22/h2-4,15-16,18H,5-14,17H2,1H3,(H,27,30).
What are the key properties of 4-[2-(1H-indazol-4-yl)-6-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
4-[2-(1H-indazol-4-yl)-6-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 508.65 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-indazol-4-yl)-6-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 11613134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).