4-[1-[[5-(5-fluoro-7-morpholin-4-yl-1H-indol-4-yl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]morpholine

C25H32FN5O2S — CID 68570249

IUPAC4-[1-[[5-(5-fluoro-7-morpholin-4-yl-1H-indol-4-yl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]morpholine
SMILESFc1cc(N2CCOCC2)c2[nH]ccc2c1-c1cnc(CN2CCC(N3CCOCC3)CC2)s1
InChIInChI=1S/C25H32FN5O2S/c26-20-15-21(31-9-13-33-14-10-31)25-19(1-4-27-25)24(20)22-16-28-23(34-22)17-29-5-2-18(3-6-29)30-7-11-32-12-8-30/h1,4,15-16,18,27H,2-3,5-14,17H2
InChIKeyMZHBABVWECCDAU-UHFFFAOYSA-N
MW485.63 g/mol
LogP3.56
Rot. Bonds5

About 4-[1-[[5-(5-fluoro-7-morpholin-4-yl-1H-indol-4-yl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]morpholine

4-[1-[[5-(5-fluoro-7-morpholin-4-yl-1H-indol-4-yl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]morpholine (PubChem CID 68570249) has the molecular formula C25H32FN5O2S and a molecular weight of 485.63 g/mol. Its IUPAC name is 4-[1-[[5-(5-fluoro-7-morpholin-4-yl-1H-indol-4-yl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-[[5-(5-fluoro-7-morpholin-4-yl-1H-indol-4-yl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]morpholine
PubChem CID68570249
Molecular FormulaC25H32FN5O2S
Molecular Weight485.63 g/mol
Exact Mass485.23
IUPAC Name4-[1-[[5-(5-fluoro-7-morpholin-4-yl-1H-indol-4-yl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]morpholine
SMILESFc1cc(N2CCOCC2)c2[nH]ccc2c1-c1cnc(CN2CCC(N3CCOCC3)CC2)s1
InChIInChI=1S/C25H32FN5O2S/c26-20-15-21(31-9-13-33-14-10-31)25-19(1-4-27-25)24(20)22-16-28-23(34-22)17-29-5-2-18(3-6-29)30-7-11-32-12-8-30/h1,4,15-16,18,27H,2-3,5-14,17H2
InChIKeyMZHBABVWECCDAU-UHFFFAOYSA-N
XLogP3.56
TPSA56.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[1-[[5-(5-fluoro-7-morpholin-4-yl-1H-indol-4-yl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]morpholine with MolForge

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Related Compounds

1-(2-fluorophenyl)-2-{[2-(4-morpholinyl)-1,3-thiazol-5-yl]methyl}-2,3,4,9-tetrahydro-1H-beta-carboline
CID 45220468
4-[5-(5-fluoro-1H-indol-4-yl)-2-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine
CID 25123393
4-[5-(5-fluoro-1H-indol-4-yl)-2-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
CID 25127688
4-[5-(5-fluoro-1H-indol-4-yl)-2-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine
CID 25128338
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]-5-fluoro-1H-indol-7-yl]morpholine
CID 67499105
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-[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
4-[6-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-7H-thieno[2,3-c]pyridin-4-yl]morpholine
CID 68795970

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[5-(5-fluoro-7-morpholin-4-yl-1H-indol-4-yl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]morpholine?
The IUPAC name of 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) is 4-[1-[[5-(5-fluoro-7-morpholin-4-yl-1H-indol-4-yl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-[[5-(5-fluoro-7-morpholin-4-yl-1H-indol-4-yl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-[[5-(5-fluoro-7-morpholin-4-yl-1H-indol-4-yl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]morpholine is Fc1cc(N2CCOCC2)c2[nH]ccc2c1-c1cnc(CN2CCC(N3CCOCC3)CC2)s1.
What is the InChIKey of 4-[1-[[5-(5-fluoro-7-morpholin-4-yl-1H-indol-4-yl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]morpholine?
The InChIKey is MZHBABVWECCDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN5O2S/c26-20-15-21(31-9-13-33-14-10-31)25-19(1-4-27-25)24(20)22-16-28-23(34-22)17-29-5-2-18(3-6-29)30-7-11-32-12-8-30/h1,4,15-16,18,27H,2-3,5-14,17H2.
What are the key properties of 4-[1-[[5-(5-fluoro-7-morpholin-4-yl-1H-indol-4-yl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]morpholine?
4-[1-[[5-(5-fluoro-7-morpholin-4-yl-1H-indol-4-yl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]morpholine has a molecular weight of 485.63 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[5-(5-fluoro-7-morpholin-4-yl-1H-indol-4-yl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]morpholine is sourced from PubChem (CID 68570249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).