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

C26H28N8OS2 — CID 11562821

IUPAC4-[2-(1H-indazol-4-yl)-6-[[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESc1cc(-c2nc(N3CCOCC3)c3sc(CN4CCN(Cc5nccs5)CC4)cc3n2)c2cn[nH]c2c1
InChIInChI=1S/C26H28N8OS2/c1-2-19(20-15-28-31-21(20)3-1)25-29-22-14-18(37-24(22)26(30-25)34-9-11-35-12-10-34)16-32-5-7-33(8-6-32)17-23-27-4-13-36-23/h1-4,13-15H,5-12,16-17H2,(H,28,31)
InChIKeyYTVHEHRDTQEXKQ-UHFFFAOYSA-N
MW532.70 g/mol
LogP3.85
Rot. Bonds6

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

4-[2-(1H-indazol-4-yl)-6-[[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 11562821) has the molecular formula C26H28N8OS2 and a molecular weight of 532.70 g/mol. Its IUPAC name is 4-[2-(1H-indazol-4-yl)-6-[[4-(1,3-thiazol-2-ylmethyl)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-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID11562821
Molecular FormulaC26H28N8OS2
Molecular Weight532.70 g/mol
Exact Mass532.18
IUPAC Name4-[2-(1H-indazol-4-yl)-6-[[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESc1cc(-c2nc(N3CCOCC3)c3sc(CN4CCN(Cc5nccs5)CC4)cc3n2)c2cn[nH]c2c1
InChIInChI=1S/C26H28N8OS2/c1-2-19(20-15-28-31-21(20)3-1)25-29-22-14-18(37-24(22)26(30-25)34-9-11-35-12-10-34)16-32-5-7-33(8-6-32)17-23-27-4-13-36-23/h1-4,13-15H,5-12,16-17H2,(H,28,31)
InChIKeyYTVHEHRDTQEXKQ-UHFFFAOYSA-N
XLogP3.85
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.70
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-[2-(1H-indazol-4-yl)-6-[[4-(1,3-thiazol-2-ylmethyl)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-ylmethyl)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-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine (CID 11562821) is 4-[2-(1H-indazol-4-yl)-6-[[4-(1,3-thiazol-2-ylmethyl)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-ylmethyl)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-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine is c1cc(-c2nc(N3CCOCC3)c3sc(CN4CCN(Cc5nccs5)CC4)cc3n2)c2cn[nH]c2c1.
What is the InChIKey of 4-[2-(1H-indazol-4-yl)-6-[[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is YTVHEHRDTQEXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8OS2/c1-2-19(20-15-28-31-21(20)3-1)25-29-22-14-18(37-24(22)26(30-25)34-9-11-35-12-10-34)16-32-5-7-33(8-6-32)17-23-27-4-13-36-23/h1-4,13-15H,5-12,16-17H2,(H,28,31).
What are the key properties of 4-[2-(1H-indazol-4-yl)-6-[[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
4-[2-(1H-indazol-4-yl)-6-[[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 532.70 g/mol, XLogP of 3.85, 6 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-ylmethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 11562821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).