4-[4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazol-5-yl]-6-fluoro-1H-indol-7-yl]morpholine

C23H28FN5OS — CID 67500099

IUPAC4-[4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazol-5-yl]-6-fluoro-1H-indol-7-yl]morpholine
SMILESFc1cc(-c2cnc(CN3CC4(CCNCC4)C3)s2)c2cc[nH]c2c1N1CCOCC1
InChIInChI=1S/C23H28FN5OS/c24-18-11-17(16-1-4-26-21(16)22(18)29-7-9-30-10-8-29)19-12-27-20(31-19)13-28-14-23(15-28)2-5-25-6-3-23/h1,4,11-12,25-26H,2-3,5-10,13-15H2
InChIKeyAIGLCDIIGIWIOY-UHFFFAOYSA-N
MW441.58 g/mol
LogP3.45
Rot. Bonds4

About 4-[4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazol-5-yl]-6-fluoro-1H-indol-7-yl]morpholine

4-[4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazol-5-yl]-6-fluoro-1H-indol-7-yl]morpholine (PubChem CID 67500099) has the molecular formula C23H28FN5OS and a molecular weight of 441.58 g/mol. Its IUPAC name is 4-[4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazol-5-yl]-6-fluoro-1H-indol-7-yl]morpholine.

Molecular Properties

Compound Name4-[4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazol-5-yl]-6-fluoro-1H-indol-7-yl]morpholine
PubChem CID67500099
Molecular FormulaC23H28FN5OS
Molecular Weight441.58 g/mol
Exact Mass441.20
IUPAC Name4-[4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazol-5-yl]-6-fluoro-1H-indol-7-yl]morpholine
SMILESFc1cc(-c2cnc(CN3CC4(CCNCC4)C3)s2)c2cc[nH]c2c1N1CCOCC1
InChIInChI=1S/C23H28FN5OS/c24-18-11-17(16-1-4-26-21(16)22(18)29-7-9-30-10-8-29)19-12-27-20(31-19)13-28-14-23(15-28)2-5-25-6-3-23/h1,4,11-12,25-26H,2-3,5-10,13-15H2
InChIKeyAIGLCDIIGIWIOY-UHFFFAOYSA-N
XLogP3.45
TPSA56.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazol-5-yl]-6-fluoro-1H-indol-7-yl]morpholine?
The IUPAC name of 4-[4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazol-5-yl]-6-fluoro-1H-indol-7-yl]morpholine (CID 67500099) is 4-[4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazol-5-yl]-6-fluoro-1H-indol-7-yl]morpholine.
What is the SMILES notation for 4-[4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazol-5-yl]-6-fluoro-1H-indol-7-yl]morpholine?
The canonical SMILES for 4-[4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazol-5-yl]-6-fluoro-1H-indol-7-yl]morpholine is Fc1cc(-c2cnc(CN3CC4(CCNCC4)C3)s2)c2cc[nH]c2c1N1CCOCC1.
What is the InChIKey of 4-[4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazol-5-yl]-6-fluoro-1H-indol-7-yl]morpholine?
The InChIKey is AIGLCDIIGIWIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5OS/c24-18-11-17(16-1-4-26-21(16)22(18)29-7-9-30-10-8-29)19-12-27-20(31-19)13-28-14-23(15-28)2-5-25-6-3-23/h1,4,11-12,25-26H,2-3,5-10,13-15H2.
What are the key properties of 4-[4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazol-5-yl]-6-fluoro-1H-indol-7-yl]morpholine?
4-[4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazol-5-yl]-6-fluoro-1H-indol-7-yl]morpholine has a molecular weight of 441.58 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazol-5-yl]-6-fluoro-1H-indol-7-yl]morpholine is sourced from PubChem (CID 67500099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).