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

C27H31FN6OS — CID 66938001

IUPAC4-[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
SMILESFc1ccc2[nH]ccc2c1-c1cc(N2CCOCC2)c2nc(CN3CCC(N4CCC4)CC3)sc2n1
InChIInChI=1S/C27H31FN6OS/c28-20-2-3-21-19(4-7-29-21)25(20)22-16-23(34-12-14-35-15-13-34)26-27(30-22)36-24(31-26)17-32-10-5-18(6-11-32)33-8-1-9-33/h2-4,7,16,18,29H,1,5-6,8-15,17H2
InChIKeyMKKUAQIYZWFPLJ-UHFFFAOYSA-N
MW506.65 g/mol
LogP4.49
Rot. Bonds5

About 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

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 (PubChem CID 66938001) has the molecular formula C27H31FN6OS and a molecular weight of 506.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID66938001
Molecular FormulaC27H31FN6OS
Molecular Weight506.65 g/mol
Exact Mass506.23
IUPAC Name4-[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
SMILESFc1ccc2[nH]ccc2c1-c1cc(N2CCOCC2)c2nc(CN3CCC(N4CCC4)CC3)sc2n1
InChIInChI=1S/C27H31FN6OS/c28-20-2-3-21-19(4-7-29-21)25(20)22-16-23(34-12-14-35-15-13-34)26-27(30-22)36-24(31-26)17-32-10-5-18(6-11-32)33-8-1-9-33/h2-4,7,16,18,29H,1,5-6,8-15,17H2
InChIKeyMKKUAQIYZWFPLJ-UHFFFAOYSA-N
XLogP4.49
TPSA60.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.65
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

2-[1-[[5-(5-fluoro-1H-indol-4-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol
CID 71453081
(1H-Indol-5-yl)-[2-(4-morpholin-4-ylmethyl-phenyl)-thieno[3,2-b]pyridin-7-yl]-amine
CID 18382861
(3R)-4-[2-(1H-indol-4-yl)-5-[(3S)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-3-methylmorpholine
CID 155561110
2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
CID 50992286
4-[4-(1H-indol-4-yl)-7-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-2-yl]morpholine
CID 122432495
6-(cis-3,5-Dimethyl-piperazin-1-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine
CID 24936355
4-[2-(6-fluoro-1H-indol-4-yl)-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24937383
2-(5-Fluoro-1H-indol-4-yl)-4-morpholin-4-yl-6-piperazin-1-ylmethyl-thieno[3,2-d]pyrimidine
CID 24937384
2-[4-[[5-(5-fluoro-1H-indol-4-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperazin-1-yl]-2-methylpropanamide
CID 25123389
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-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(6-fluoro-1H-indol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine
CID 25127361
4-[2-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-5-(5-fluoro-1H-indol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine
CID 25127362

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Fc1ccc2[nH]ccc2c1-c1cc(N2CCOCC2)c2nc(CN3CCC(N4CCC4)CC3)sc2n1.
What is the InChIKey of 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?
The InChIKey is MKKUAQIYZWFPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN6OS/c28-20-2-3-21-19(4-7-29-21)25(20)22-16-23(34-12-14-35-15-13-34)26-27(30-22)36-24(31-26)17-32-10-5-18(6-11-32)33-8-1-9-33/h2-4,7,16,18,29H,1,5-6,8-15,17H2.
What are the key properties of 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?
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 has a molecular weight of 506.65 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 66938001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).