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

C18H24N8OS — CID 155543833

IUPAC(3R)-3-methyl-4-[5-(4-methylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine
SMILESC[C@@H]1COCCN1c1nc(N2CCN(C)CC2)nc2sc(-c3ccn[nH]3)nc12
InChIInChI=1S/C18H24N8OS/c1-12-11-27-10-9-26(12)15-14-17(28-16(20-14)13-3-4-19-23-13)22-18(21-15)25-7-5-24(2)6-8-25/h3-4,12H,5-11H2,1-2H3,(H,19,23)/t12-/m1/s1
InChIKeyLORJBTWECNANDT-GFCCVEGCSA-N
MW400.51 g/mol
LogP1.45
Rot. Bonds3

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

(3R)-3-methyl-4-[5-(4-methylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine (PubChem CID 155543833) has the molecular formula C18H24N8OS and a molecular weight of 400.51 g/mol. Its IUPAC name is (3R)-3-methyl-4-[5-(4-methylpiperazin-1-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-(4-methylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine
PubChem CID155543833
Molecular FormulaC18H24N8OS
Molecular Weight400.51 g/mol
Exact Mass400.18
IUPAC Name(3R)-3-methyl-4-[5-(4-methylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine
SMILESC[C@@H]1COCCN1c1nc(N2CCN(C)CC2)nc2sc(-c3ccn[nH]3)nc12
InChIInChI=1S/C18H24N8OS/c1-12-11-27-10-9-26(12)15-14-17(28-16(20-14)13-3-4-19-23-13)22-18(21-15)25-7-5-24(2)6-8-25/h3-4,12H,5-11H2,1-2H3,(H,19,23)/t12-/m1/s1
InChIKeyLORJBTWECNANDT-GFCCVEGCSA-N
XLogP1.45
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[5-(4-methylpiperazin-1-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-(4-methylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine (CID 155543833) is (3R)-3-methyl-4-[5-(4-methylpiperazin-1-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-(4-methylpiperazin-1-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-(4-methylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine is C[C@@H]1COCCN1c1nc(N2CCN(C)CC2)nc2sc(-c3ccn[nH]3)nc12.
What is the InChIKey of (3R)-3-methyl-4-[5-(4-methylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine?
The InChIKey is LORJBTWECNANDT-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H24N8OS/c1-12-11-27-10-9-26(12)15-14-17(28-16(20-14)13-3-4-19-23-13)22-18(21-15)25-7-5-24(2)6-8-25/h3-4,12H,5-11H2,1-2H3,(H,19,23)/t12-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[5-(4-methylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine?
(3R)-3-methyl-4-[5-(4-methylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine has a molecular weight of 400.51 g/mol, XLogP of 1.45, 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-(4-methylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 155543833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).