4-[2-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-5-(5-fluoro-1H-indol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine

C26H30FN7OS — CID 58234947

IUPAC4-[2-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-5-(5-fluoro-1H-indol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine
SMILESFc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2nc(CN3CCC(N4CCC4)CC3)sc2n1
InChIInChI=1S/C26H30FN7OS/c27-19-2-3-20-18(4-7-28-20)22(19)24-30-25(34-12-14-35-15-13-34)23-26(31-24)36-21(29-23)16-32-10-5-17(6-11-32)33-8-1-9-33/h2-4,7,17,28H,1,5-6,8-16H2
InChIKeyIZAHXGXPRMZMAD-UHFFFAOYSA-N
MW507.64 g/mol
LogP3.88
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-d]pyrimidin-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-d]pyrimidin-7-yl]morpholine (PubChem CID 58234947) has the molecular formula C26H30FN7OS and a molecular weight of 507.64 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-d]pyrimidin-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-d]pyrimidin-7-yl]morpholine
PubChem CID58234947
Molecular FormulaC26H30FN7OS
Molecular Weight507.64 g/mol
Exact Mass507.22
IUPAC Name4-[2-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-5-(5-fluoro-1H-indol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine
SMILESFc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2nc(CN3CCC(N4CCC4)CC3)sc2n1
InChIInChI=1S/C26H30FN7OS/c27-19-2-3-20-18(4-7-28-20)22(19)24-30-25(34-12-14-35-15-13-34)23-26(31-24)36-21(29-23)16-32-10-5-17(6-11-32)33-8-1-9-33/h2-4,7,17,28H,1,5-6,8-16H2
InChIKeyIZAHXGXPRMZMAD-UHFFFAOYSA-N
XLogP3.88
TPSA73.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.64
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[2-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-5-(5-fluoro-1H-indol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine with MolForge

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Related Compounds

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-[2-(5-fluoro-1H-indol-4-yl)-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24937384
4-[6-[(4-ethylpiperazin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 70957269
4-[2-(5-fluoro-1H-indol-4-yl)-6-(oxan-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 53379023
2-[4-[[5-(5-fluoro-1H-indol-4-yl)-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]methyl]piperazin-1-yl]prop-2-enamide
CID 88975509
4-[2-(5-fluoro-1H-indol-4-yl)-6-(piperidin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 58404994
4-[2-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-5-(1H-indol-4-yl)-4H-[1,3]thiazolo[5,4-c]pyridin-7-yl]morpholine
CID 68574038
2-[4-[[2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide
CID 53378374
1-[[2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]-methylamino]-2-methylpropan-2-ol
CID 67344880
4-[6-[[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 58117040
8-[[9-ethyl-2-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 25265242
2-[4-[[9-ethyl-2-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-2,2-dimethylpiperazin-1-yl]acetamide
CID 25265096

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-d]pyrimidin-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-d]pyrimidin-7-yl]morpholine (CID 58234947) is 4-[2-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-5-(5-fluoro-1H-indol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-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-d]pyrimidin-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-d]pyrimidin-7-yl]morpholine is Fc1ccc2[nH]ccc2c1-c1nc(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-d]pyrimidin-7-yl]morpholine?
The InChIKey is IZAHXGXPRMZMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN7OS/c27-19-2-3-20-18(4-7-28-20)22(19)24-30-25(34-12-14-35-15-13-34)23-26(31-24)36-21(29-23)16-32-10-5-17(6-11-32)33-8-1-9-33/h2-4,7,17,28H,1,5-6,8-16H2.
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-d]pyrimidin-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-d]pyrimidin-7-yl]morpholine has a molecular weight of 507.64 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 8 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-d]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 58234947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).