2-[3-[(6-fluoro-1H-indol-3-yl)methyl]morpholin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

C21H23FN4O2S — CID 67187637

IUPAC2-[3-[(6-fluoro-1H-indol-3-yl)methyl]morpholin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCC1(C)Cc2nc(N3CCOCC3Cc3c[nH]c4cc(F)ccc34)sc2C(=O)N1
InChIInChI=1S/C21H23FN4O2S/c1-21(2)9-17-18(19(27)25-21)29-20(24-17)26-5-6-28-11-14(26)7-12-10-23-16-8-13(22)3-4-15(12)16/h3-4,8,10,14,23H,5-7,9,11H2,1-2H3,(H,25,27)
InChIKeyLTQHQMUGLXMKOT-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.28
Rot. Bonds3

About 2-[3-[(6-fluoro-1H-indol-3-yl)methyl]morpholin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

2-[3-[(6-fluoro-1H-indol-3-yl)methyl]morpholin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 67187637) has the molecular formula C21H23FN4O2S and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-[3-[(6-fluoro-1H-indol-3-yl)methyl]morpholin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name2-[3-[(6-fluoro-1H-indol-3-yl)methyl]morpholin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID67187637
Molecular FormulaC21H23FN4O2S
Molecular Weight414.51 g/mol
Exact Mass414.15
IUPAC Name2-[3-[(6-fluoro-1H-indol-3-yl)methyl]morpholin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCC1(C)Cc2nc(N3CCOCC3Cc3c[nH]c4cc(F)ccc34)sc2C(=O)N1
InChIInChI=1S/C21H23FN4O2S/c1-21(2)9-17-18(19(27)25-21)29-20(24-17)26-5-6-28-11-14(26)7-12-10-23-16-8-13(22)3-4-15(12)16/h3-4,8,10,14,23H,5-7,9,11H2,1-2H3,(H,25,27)
InChIKeyLTQHQMUGLXMKOT-UHFFFAOYSA-N
XLogP3.28
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-[(6-fluoro-1H-indol-3-yl)methyl]morpholin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(6-fluoro-1H-indol-3-yl)methyl]morpholin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 2-[3-[(6-fluoro-1H-indol-3-yl)methyl]morpholin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 67187637) is 2-[3-[(6-fluoro-1H-indol-3-yl)methyl]morpholin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 2-[3-[(6-fluoro-1H-indol-3-yl)methyl]morpholin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 2-[3-[(6-fluoro-1H-indol-3-yl)methyl]morpholin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is CC1(C)Cc2nc(N3CCOCC3Cc3c[nH]c4cc(F)ccc34)sc2C(=O)N1.
What is the InChIKey of 2-[3-[(6-fluoro-1H-indol-3-yl)methyl]morpholin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is LTQHQMUGLXMKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2S/c1-21(2)9-17-18(19(27)25-21)29-20(24-17)26-5-6-28-11-14(26)7-12-10-23-16-8-13(22)3-4-15(12)16/h3-4,8,10,14,23H,5-7,9,11H2,1-2H3,(H,25,27).
What are the key properties of 2-[3-[(6-fluoro-1H-indol-3-yl)methyl]morpholin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
2-[3-[(6-fluoro-1H-indol-3-yl)methyl]morpholin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 414.51 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(6-fluoro-1H-indol-3-yl)methyl]morpholin-4-yl]-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 67187637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).