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

C23H26N6OS — CID 24938019

IUPAC4-[2-(1H-indol-4-yl)-6-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
SMILESc1cc(-c2nc(N3CCOCC3)c3cc(CN4CCNCC4)sc3n2)c2cc[nH]c2c1
InChIInChI=1S/C23H26N6OS/c1-2-18(17-4-5-25-20(17)3-1)21-26-22(29-10-12-30-13-11-29)19-14-16(31-23(19)27-21)15-28-8-6-24-7-9-28/h1-5,14,24-25H,6-13,15H2
InChIKeyLWPBKKRAHSIZOD-UHFFFAOYSA-N
MW434.57 g/mol
LogP3.08
Rot. Bonds4

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

4-[2-(1H-indol-4-yl)-6-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine (PubChem CID 24938019) has the molecular formula C23H26N6OS and a molecular weight of 434.57 g/mol. Its IUPAC name is 4-[2-(1H-indol-4-yl)-6-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(1H-indol-4-yl)-6-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
PubChem CID24938019
Molecular FormulaC23H26N6OS
Molecular Weight434.57 g/mol
Exact Mass434.19
IUPAC Name4-[2-(1H-indol-4-yl)-6-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
SMILESc1cc(-c2nc(N3CCOCC3)c3cc(CN4CCNCC4)sc3n2)c2cc[nH]c2c1
InChIInChI=1S/C23H26N6OS/c1-2-18(17-4-5-25-20(17)3-1)21-26-22(29-10-12-30-13-11-29)19-14-16(31-23(19)27-21)15-28-8-6-24-7-9-28/h1-5,14,24-25H,6-13,15H2
InChIKeyLWPBKKRAHSIZOD-UHFFFAOYSA-N
XLogP3.08
TPSA69.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-indol-4-yl)-6-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(1H-indol-4-yl)-6-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine (CID 24938019) is 4-[2-(1H-indol-4-yl)-6-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(1H-indol-4-yl)-6-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(1H-indol-4-yl)-6-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine is c1cc(-c2nc(N3CCOCC3)c3cc(CN4CCNCC4)sc3n2)c2cc[nH]c2c1.
What is the InChIKey of 4-[2-(1H-indol-4-yl)-6-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is LWPBKKRAHSIZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6OS/c1-2-18(17-4-5-25-20(17)3-1)21-26-22(29-10-12-30-13-11-29)19-14-16(31-23(19)27-21)15-28-8-6-24-7-9-28/h1-5,14,24-25H,6-13,15H2.
What are the key properties of 4-[2-(1H-indol-4-yl)-6-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine?
4-[2-(1H-indol-4-yl)-6-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 434.57 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-indol-4-yl)-6-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 24938019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).