4-[2-(5-fluoro-1H-indol-4-yl)-6-[(4-propylpiperidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine

C27H32FN5OS — CID 70957251

IUPAC4-[2-(5-fluoro-1H-indol-4-yl)-6-[(4-propylpiperidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESCCCC1CCN(Cc2cc3nc(-c4c(F)ccc5[nH]ccc45)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C27H32FN5OS/c1-2-3-18-7-10-32(11-8-18)17-19-16-23-25(35-19)27(33-12-14-34-15-13-33)31-26(30-23)24-20-6-9-29-22(20)5-4-21(24)28/h4-6,9,16,18,29H,2-3,7-8,10-15,17H2,1H3
InChIKeyGBJAXEVDFCVBRX-UHFFFAOYSA-N
MW493.65 g/mol
LogP5.83
Rot. Bonds6

About 4-[2-(5-fluoro-1H-indol-4-yl)-6-[(4-propylpiperidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine

4-[2-(5-fluoro-1H-indol-4-yl)-6-[(4-propylpiperidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 70957251) has the molecular formula C27H32FN5OS and a molecular weight of 493.65 g/mol. Its IUPAC name is 4-[2-(5-fluoro-1H-indol-4-yl)-6-[(4-propylpiperidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(5-fluoro-1H-indol-4-yl)-6-[(4-propylpiperidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID70957251
Molecular FormulaC27H32FN5OS
Molecular Weight493.65 g/mol
Exact Mass493.23
IUPAC Name4-[2-(5-fluoro-1H-indol-4-yl)-6-[(4-propylpiperidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESCCCC1CCN(Cc2cc3nc(-c4c(F)ccc5[nH]ccc45)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C27H32FN5OS/c1-2-3-18-7-10-32(11-8-18)17-19-16-23-25(35-19)27(33-12-14-34-15-13-33)31-26(30-23)24-20-6-9-29-22(20)5-4-21(24)28/h4-6,9,16,18,29H,2-3,7-8,10-15,17H2,1H3
InChIKeyGBJAXEVDFCVBRX-UHFFFAOYSA-N
XLogP5.83
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.65
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-fluoro-1H-indol-4-yl)-6-[(4-propylpiperidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(5-fluoro-1H-indol-4-yl)-6-[(4-propylpiperidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine (CID 70957251) is 4-[2-(5-fluoro-1H-indol-4-yl)-6-[(4-propylpiperidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(5-fluoro-1H-indol-4-yl)-6-[(4-propylpiperidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(5-fluoro-1H-indol-4-yl)-6-[(4-propylpiperidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine is CCCC1CCN(Cc2cc3nc(-c4c(F)ccc5[nH]ccc45)nc(N4CCOCC4)c3s2)CC1.
What is the InChIKey of 4-[2-(5-fluoro-1H-indol-4-yl)-6-[(4-propylpiperidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is GBJAXEVDFCVBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN5OS/c1-2-3-18-7-10-32(11-8-18)17-19-16-23-25(35-19)27(33-12-14-34-15-13-33)31-26(30-23)24-20-6-9-29-22(20)5-4-21(24)28/h4-6,9,16,18,29H,2-3,7-8,10-15,17H2,1H3.
What are the key properties of 4-[2-(5-fluoro-1H-indol-4-yl)-6-[(4-propylpiperidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
4-[2-(5-fluoro-1H-indol-4-yl)-6-[(4-propylpiperidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 493.65 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-fluoro-1H-indol-4-yl)-6-[(4-propylpiperidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 70957251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).