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

C23H28FN5OS — CID 67499105

IUPAC4-[4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazol-5-yl]-5-fluoro-1H-indol-7-yl]morpholine
SMILESFc1cc(N2CCOCC2)c2[nH]ccc2c1-c1cnc(CN2CC3(CCNCC3)C2)s1
InChIInChI=1S/C23H28FN5OS/c24-17-11-18(29-7-9-30-10-8-29)22-16(1-4-26-22)21(17)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
InChIKeyZDSROAPLTGYVLD-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]-5-fluoro-1H-indol-7-yl]morpholine

4-[4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazol-5-yl]-5-fluoro-1H-indol-7-yl]morpholine (PubChem CID 67499105) 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]-5-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]-5-fluoro-1H-indol-7-yl]morpholine
PubChem CID67499105
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]-5-fluoro-1H-indol-7-yl]morpholine
SMILESFc1cc(N2CCOCC2)c2[nH]ccc2c1-c1cnc(CN2CC3(CCNCC3)C2)s1
InChIInChI=1S/C23H28FN5OS/c24-17-11-18(29-7-9-30-10-8-29)22-16(1-4-26-22)21(17)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
InChIKeyZDSROAPLTGYVLD-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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Related Compounds

2-[4-[[5-(5-fluoro-7-morpholin-4-yl-1H-indol-4-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-methylpropanamide
CID 66937687
4-[2-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-5-(5-fluoro-1H-indol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-7-yl]morpholine
CID 66938001
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
4-[1-[[5-(5-fluoro-7-morpholin-4-yl-1H-indol-4-yl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]morpholine
CID 68570249
4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(5-fluoro-1H-indol-4-yl)-4H-[1,3]thiazolo[4,5-c]pyridin-7-yl]morpholine
CID 68573915
2-[(4-cyclopropylpiperazin-1-yl)methyl]-4-[5-(5-fluoro-1H-indol-4-yl)thiophen-3-yl]morpholine
CID 68749567
2-[(4-cyclopropylpiperazin-1-yl)methyl]-4-[5-(6-fluoro-1H-indol-4-yl)thiophen-3-yl]morpholine
CID 68751968
2-[[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]methyl]-4-[5-(5-fluoro-1H-indol-4-yl)thiophen-3-yl]morpholine
CID 68753935
4-[5-(6-fluoro-1H-indol-4-yl)thiophen-3-yl]-2-(piperazin-1-ylmethyl)morpholine
CID 69084253
4-[3-(6-fluoro-1H-indol-4-yl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]morpholine
CID 69084256
4-[5-(5-fluoro-1H-indol-4-yl)thiophen-3-yl]-2-(piperidin-1-ylmethyl)morpholine
CID 69095887
5-[(1S,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-2-[1-(3-fluoropropyl)azetidin-3-yl]oxy-1,3-thiazole
CID 170950706

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]-5-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]-5-fluoro-1H-indol-7-yl]morpholine (CID 67499105) is 4-[4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazol-5-yl]-5-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]-5-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]-5-fluoro-1H-indol-7-yl]morpholine is Fc1cc(N2CCOCC2)c2[nH]ccc2c1-c1cnc(CN2CC3(CCNCC3)C2)s1.
What is the InChIKey of 4-[4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazol-5-yl]-5-fluoro-1H-indol-7-yl]morpholine?
The InChIKey is ZDSROAPLTGYVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5OS/c24-17-11-18(29-7-9-30-10-8-29)22-16(1-4-26-22)21(17)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]-5-fluoro-1H-indol-7-yl]morpholine?
4-[4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazol-5-yl]-5-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]-5-fluoro-1H-indol-7-yl]morpholine is sourced from PubChem (CID 67499105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).