(3R)-4-[2-(1H-indol-4-yl)-5-[(3S)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-3-methylmorpholine

C23H26N6O2S — CID 155561110

IUPAC(3R)-4-[2-(1H-indol-4-yl)-5-[(3S)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1nc(N2CCOC[C@@H]2C)nc2sc(-c3cccc4[nH]ccc34)nc12
InChIInChI=1S/C23H26N6O2S/c1-14-12-30-10-8-28(14)20-19-22(27-23(26-20)29-9-11-31-13-15(29)2)32-21(25-19)17-4-3-5-18-16(17)6-7-24-18/h3-7,14-15,24H,8-13H2,1-2H3/t14-,15+/m1/s1
InChIKeyXAXNUXGEADQDBY-CABCVRRESA-N
MW450.57 g/mol
LogP3.68
Rot. Bonds3

About (3R)-4-[2-(1H-indol-4-yl)-5-[(3S)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-3-methylmorpholine

(3R)-4-[2-(1H-indol-4-yl)-5-[(3S)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-3-methylmorpholine (PubChem CID 155561110) has the molecular formula C23H26N6O2S and a molecular weight of 450.57 g/mol. Its IUPAC name is (3R)-4-[2-(1H-indol-4-yl)-5-[(3S)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[2-(1H-indol-4-yl)-5-[(3S)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-3-methylmorpholine
PubChem CID155561110
Molecular FormulaC23H26N6O2S
Molecular Weight450.57 g/mol
Exact Mass450.18
IUPAC Name(3R)-4-[2-(1H-indol-4-yl)-5-[(3S)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1nc(N2CCOC[C@@H]2C)nc2sc(-c3cccc4[nH]ccc34)nc12
InChIInChI=1S/C23H26N6O2S/c1-14-12-30-10-8-28(14)20-19-22(27-23(26-20)29-9-11-31-13-15(29)2)32-21(25-19)17-4-3-5-18-16(17)6-7-24-18/h3-7,14-15,24H,8-13H2,1-2H3/t14-,15+/m1/s1
InChIKeyXAXNUXGEADQDBY-CABCVRRESA-N
XLogP3.68
TPSA79.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.57
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3R)-4-[2-(1H-indol-4-yl)-5-[(3S)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-3-methylmorpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[2-(1H-indol-4-yl)-5-[(3S)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-3-methylmorpholine?
The IUPAC name of (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) is (3R)-4-[2-(1H-indol-4-yl)-5-[(3S)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[2-(1H-indol-4-yl)-5-[(3S)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[2-(1H-indol-4-yl)-5-[(3S)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-3-methylmorpholine is C[C@@H]1COCCN1c1nc(N2CCOC[C@@H]2C)nc2sc(-c3cccc4[nH]ccc34)nc12.
What is the InChIKey of (3R)-4-[2-(1H-indol-4-yl)-5-[(3S)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-3-methylmorpholine?
The InChIKey is XAXNUXGEADQDBY-CABCVRRESA-N. The full InChI is InChI=1S/C23H26N6O2S/c1-14-12-30-10-8-28(14)20-19-22(27-23(26-20)29-9-11-31-13-15(29)2)32-21(25-19)17-4-3-5-18-16(17)6-7-24-18/h3-7,14-15,24H,8-13H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of (3R)-4-[2-(1H-indol-4-yl)-5-[(3S)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-3-methylmorpholine?
(3R)-4-[2-(1H-indol-4-yl)-5-[(3S)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-3-methylmorpholine has a molecular weight of 450.57 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[2-(1H-indol-4-yl)-5-[(3S)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-3-methylmorpholine is sourced from PubChem (CID 155561110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).