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

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Related Compounds

Pictilisib
CID 17755052
1-(4-{[2-(1H-indazol-4-yl)-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}piperazin-1-yl)-6-methylhept-5-ene-1,4-dione
CID 58441401
2-(1H-Indazol-4-yl)-6-(4-methyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine
CID 11532472
2-(1H-indazol-4-yl)-4-morpholinothieno[3,2-d]pyrimidine
CID 25023743
Pictilisib Bismesylate
CID 56972143
2-(1H-indazol-6-yl)-4-morpholinothieno[3,2-d]pyrimidine
CID 25023744
N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]-2-methoxy-N-methylacetamide
CID 11562853
2-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol
CID 11584055
N-{1-[2-(1H-Indazol-4-yl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-6-ylmethyl]-piperidin-4-yl}-N-methyl-methanesulfonamide
CID 11599141
1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 11677284
(2-(1H-indazol-4-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methanol
CID 24970086
2-(2-(1H-indazol-4-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)propan-2-ol
CID 24970164

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).