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

C25H26N8OS2 — CID 11577217

IUPAC4-[2-(1H-indazol-4-yl)-6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESc1cc(-c2nc(N3CCOCC3)c3sc(CN4CCN(c5nccs5)CC4)cc3n2)c2cn[nH]c2c1
InChIInChI=1S/C25H26N8OS2/c1-2-18(19-15-27-30-20(19)3-1)23-28-21-14-17(36-22(21)24(29-23)32-9-11-34-12-10-32)16-31-5-7-33(8-6-31)25-26-4-13-35-25/h1-4,13-15H,5-12,16H2,(H,27,30)
InChIKeyDNMZJEONAKYIJZ-UHFFFAOYSA-N
MW518.67 g/mol
LogP3.85
Rot. Bonds5

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

4-[2-(1H-indazol-4-yl)-6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 11577217) has the molecular formula C25H26N8OS2 and a molecular weight of 518.67 g/mol. Its IUPAC name is 4-[2-(1H-indazol-4-yl)-6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(1H-indazol-4-yl)-6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID11577217
Molecular FormulaC25H26N8OS2
Molecular Weight518.67 g/mol
Exact Mass518.17
IUPAC Name4-[2-(1H-indazol-4-yl)-6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESc1cc(-c2nc(N3CCOCC3)c3sc(CN4CCN(c5nccs5)CC4)cc3n2)c2cn[nH]c2c1
InChIInChI=1S/C25H26N8OS2/c1-2-18(19-15-27-30-20(19)3-1)23-28-21-14-17(36-22(21)24(29-23)32-9-11-34-12-10-32)16-31-5-7-33(8-6-31)25-26-4-13-35-25/h1-4,13-15H,5-12,16H2,(H,27,30)
InChIKeyDNMZJEONAKYIJZ-UHFFFAOYSA-N
XLogP3.85
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.67
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-[2-(1H-indazol-4-yl)-6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-indazol-4-yl)-6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(1H-indazol-4-yl)-6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine (CID 11577217) is 4-[2-(1H-indazol-4-yl)-6-[[4-(1,3-thiazol-2-yl)piperazin-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-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(1H-indazol-4-yl)-6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine is c1cc(-c2nc(N3CCOCC3)c3sc(CN4CCN(c5nccs5)CC4)cc3n2)c2cn[nH]c2c1.
What is the InChIKey of 4-[2-(1H-indazol-4-yl)-6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is DNMZJEONAKYIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8OS2/c1-2-18(19-15-27-30-20(19)3-1)23-28-21-14-17(36-22(21)24(29-23)32-9-11-34-12-10-32)16-31-5-7-33(8-6-31)25-26-4-13-35-25/h1-4,13-15H,5-12,16H2,(H,27,30).
What are the key properties of 4-[2-(1H-indazol-4-yl)-6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
4-[2-(1H-indazol-4-yl)-6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 518.67 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-indazol-4-yl)-6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 11577217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).