(3R)-3-methyl-4-[5-morpholin-4-yl-2-(1H-pyrazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine

C17H21N7O2S — CID 155522220

IUPAC(3R)-3-methyl-4-[5-morpholin-4-yl-2-(1H-pyrazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine
SMILESC[C@@H]1COCCN1c1nc(N2CCOCC2)nc2sc(-c3ccn[nH]3)nc12
InChIInChI=1S/C17H21N7O2S/c1-11-10-26-9-6-24(11)14-13-16(27-15(19-13)12-2-3-18-22-12)21-17(20-14)23-4-7-25-8-5-23/h2-3,11H,4-10H2,1H3,(H,18,22)/t11-/m1/s1
InChIKeyBBZWEBFUJOPWDO-LLVKDONJSA-N
MW387.47 g/mol
LogP1.54
Rot. Bonds3

About (3R)-3-methyl-4-[5-morpholin-4-yl-2-(1H-pyrazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine

(3R)-3-methyl-4-[5-morpholin-4-yl-2-(1H-pyrazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine (PubChem CID 155522220) has the molecular formula C17H21N7O2S and a molecular weight of 387.47 g/mol. Its IUPAC name is (3R)-3-methyl-4-[5-morpholin-4-yl-2-(1H-pyrazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[5-morpholin-4-yl-2-(1H-pyrazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine
PubChem CID155522220
Molecular FormulaC17H21N7O2S
Molecular Weight387.47 g/mol
Exact Mass387.15
IUPAC Name(3R)-3-methyl-4-[5-morpholin-4-yl-2-(1H-pyrazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine
SMILESC[C@@H]1COCCN1c1nc(N2CCOCC2)nc2sc(-c3ccn[nH]3)nc12
InChIInChI=1S/C17H21N7O2S/c1-11-10-26-9-6-24(11)14-13-16(27-15(19-13)12-2-3-18-22-12)21-17(20-14)23-4-7-25-8-5-23/h2-3,11H,4-10H2,1H3,(H,18,22)/t11-/m1/s1
InChIKeyBBZWEBFUJOPWDO-LLVKDONJSA-N
XLogP1.54
TPSA92.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[5-morpholin-4-yl-2-(1H-pyrazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[5-morpholin-4-yl-2-(1H-pyrazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine (CID 155522220) is (3R)-3-methyl-4-[5-morpholin-4-yl-2-(1H-pyrazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[5-morpholin-4-yl-2-(1H-pyrazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[5-morpholin-4-yl-2-(1H-pyrazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine is C[C@@H]1COCCN1c1nc(N2CCOCC2)nc2sc(-c3ccn[nH]3)nc12.
What is the InChIKey of (3R)-3-methyl-4-[5-morpholin-4-yl-2-(1H-pyrazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine?
The InChIKey is BBZWEBFUJOPWDO-LLVKDONJSA-N. The full InChI is InChI=1S/C17H21N7O2S/c1-11-10-26-9-6-24(11)14-13-16(27-15(19-13)12-2-3-18-22-12)21-17(20-14)23-4-7-25-8-5-23/h2-3,11H,4-10H2,1H3,(H,18,22)/t11-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[5-morpholin-4-yl-2-(1H-pyrazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine?
(3R)-3-methyl-4-[5-morpholin-4-yl-2-(1H-pyrazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine has a molecular weight of 387.47 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[5-morpholin-4-yl-2-(1H-pyrazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 155522220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).