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

C27H32FN7O2S — CID 25127688

IUPAC4-[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
SMILESFc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2sc(CN3CCC(N4CCOCC4)CC3)nc2n1
InChIInChI=1S/C27H32FN7O2S/c28-20-1-2-21-19(3-6-29-21)23(20)25-31-26-24(27(32-25)35-11-15-37-16-12-35)38-22(30-26)17-33-7-4-18(5-8-33)34-9-13-36-14-10-34/h1-3,6,18,29H,4-5,7-17H2
InChIKeyNDDDAJXJCXRLPS-UHFFFAOYSA-N
MW537.67 g/mol
LogP3.51
Rot. Bonds5

About 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

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 (PubChem CID 25127688) has the molecular formula C27H32FN7O2S and a molecular weight of 537.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID25127688
Molecular FormulaC27H32FN7O2S
Molecular Weight537.67 g/mol
Exact Mass537.23
IUPAC Name4-[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
SMILESFc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2sc(CN3CCC(N4CCOCC4)CC3)nc2n1
InChIInChI=1S/C27H32FN7O2S/c28-20-1-2-21-19(3-6-29-21)23(20)25-31-26-24(27(32-25)35-11-15-37-16-12-35)38-22(30-26)17-33-7-4-18(5-8-33)34-9-13-36-14-10-34/h1-3,6,18,29H,4-5,7-17H2
InChIKeyNDDDAJXJCXRLPS-UHFFFAOYSA-N
XLogP3.51
TPSA82.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.67
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Fc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2sc(CN3CCC(N4CCOCC4)CC3)nc2n1.
What is the InChIKey of 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?
The InChIKey is NDDDAJXJCXRLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN7O2S/c28-20-1-2-21-19(3-6-29-21)23(20)25-31-26-24(27(32-25)35-11-15-37-16-12-35)38-22(30-26)17-33-7-4-18(5-8-33)34-9-13-36-14-10-34/h1-3,6,18,29H,4-5,7-17H2.
What are the key properties of 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?
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 has a molecular weight of 537.67 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 25127688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).