4-[5-(5-fluoro-1H-indol-4-yl)-2-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine

C22H24FN7OS — CID 25128338

IUPAC4-[5-(5-fluoro-1H-indol-4-yl)-2-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine
SMILESFc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2nc(CN3CCNCC3)sc2n1
InChIInChI=1S/C22H24FN7OS/c23-15-1-2-16-14(3-4-25-16)18(15)20-27-21(30-9-11-31-12-10-30)19-22(28-20)32-17(26-19)13-29-7-5-24-6-8-29/h1-4,24-25H,5-13H2
InChIKeyYOUVMQQNINIADR-UHFFFAOYSA-N
MW453.55 g/mol
LogP2.62
Rot. Bonds4

About 4-[5-(5-fluoro-1H-indol-4-yl)-2-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine

4-[5-(5-fluoro-1H-indol-4-yl)-2-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine (PubChem CID 25128338) has the molecular formula C22H24FN7OS and a molecular weight of 453.55 g/mol. Its IUPAC name is 4-[5-(5-fluoro-1H-indol-4-yl)-2-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-(5-fluoro-1H-indol-4-yl)-2-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine
PubChem CID25128338
Molecular FormulaC22H24FN7OS
Molecular Weight453.55 g/mol
Exact Mass453.17
IUPAC Name4-[5-(5-fluoro-1H-indol-4-yl)-2-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine
SMILESFc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2nc(CN3CCNCC3)sc2n1
InChIInChI=1S/C22H24FN7OS/c23-15-1-2-16-14(3-4-25-16)18(15)20-27-21(30-9-11-31-12-10-30)19-22(28-20)32-17(26-19)13-29-7-5-24-6-8-29/h1-4,24-25H,5-13H2
InChIKeyYOUVMQQNINIADR-UHFFFAOYSA-N
XLogP2.62
TPSA82.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-fluoro-1H-indol-4-yl)-2-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[5-(5-fluoro-1H-indol-4-yl)-2-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine (CID 25128338) is 4-[5-(5-fluoro-1H-indol-4-yl)-2-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[5-(5-fluoro-1H-indol-4-yl)-2-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[5-(5-fluoro-1H-indol-4-yl)-2-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine is Fc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2nc(CN3CCNCC3)sc2n1.
What is the InChIKey of 4-[5-(5-fluoro-1H-indol-4-yl)-2-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine?
The InChIKey is YOUVMQQNINIADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN7OS/c23-15-1-2-16-14(3-4-25-16)18(15)20-27-21(30-9-11-31-12-10-30)19-22(28-20)32-17(26-19)13-29-7-5-24-6-8-29/h1-4,24-25H,5-13H2.
What are the key properties of 4-[5-(5-fluoro-1H-indol-4-yl)-2-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine?
4-[5-(5-fluoro-1H-indol-4-yl)-2-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine has a molecular weight of 453.55 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-fluoro-1H-indol-4-yl)-2-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 25128338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).