(3R)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine

C24H23N5O2S — CID 164581389

IUPAC(3R)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine
SMILESCc1noc(C)c1-c1csc2c(N3CCOC[C@H]3C)nc(-c3cccc4[nH]ccc34)nc12
InChIInChI=1S/C24H23N5O2S/c1-13-11-30-10-9-29(13)24-22-21(18(12-32-22)20-14(2)28-31-15(20)3)26-23(27-24)17-5-4-6-19-16(17)7-8-25-19/h4-8,12-13,25H,9-11H2,1-3H3/t13-/m1/s1
InChIKeyNEIZBWZTKDZMDU-CYBMUJFWSA-N
MW445.55 g/mol
LogP5.34
Rot. Bonds3

About (3R)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine

(3R)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine (PubChem CID 164581389) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is (3R)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine
PubChem CID164581389
Molecular FormulaC24H23N5O2S
Molecular Weight445.55 g/mol
Exact Mass445.16
IUPAC Name(3R)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine
SMILESCc1noc(C)c1-c1csc2c(N3CCOC[C@H]3C)nc(-c3cccc4[nH]ccc34)nc12
InChIInChI=1S/C24H23N5O2S/c1-13-11-30-10-9-29(13)24-22-21(18(12-32-22)20-14(2)28-31-15(20)3)26-23(27-24)17-5-4-6-19-16(17)7-8-25-19/h4-8,12-13,25H,9-11H2,1-3H3/t13-/m1/s1
InChIKeyNEIZBWZTKDZMDU-CYBMUJFWSA-N
XLogP5.34
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.55
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-4-[5-(1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-methylmorpholine
CID 167270367
(3R)-3-methyl-4-[2-(1H-pyrrolo[2,3-c]pyridin-4-yl)-7-(1,3,5-trimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 164581419
(3R)-4-[6-(1H-indol-4-yl)-1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl]-3-methylmorpholine
CID 167269705
(3R)-3-methyl-4-[7-pyridin-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 175865159
(3R)-4-[6-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 139406154
(3R)-4-[7-(1,4-dimethylpyrazol-5-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine
CID 164581564
(3R)-4-[2-(1H-indol-4-yl)-7,7-dimethyl-6-methylsulfonyl-5H-pyrrolo[3,4-d]pyrimidin-4-yl]-3-methylmorpholine
CID 170343302
(3R)-4-[6-(2-fluoro-3-pyridinyl)-2-(1H-indol-4-yl)pyrido[3,2-d]pyrimidin-4-yl]-3-methylmorpholine
CID 175965732
(3R)-4-[2-(1H-indol-4-yl)-6-(3-methylimidazol-4-yl)pyrido[3,2-d]pyrimidin-4-yl]-3-methylmorpholine
CID 175965702
(3R)-3-methyl-4-[7-[[(3S)-3-methylmorpholin-4-yl]methyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 164581572
(3R)-4-[2-(1H-indol-4-yl)-7-piperidin-3-ylquinazolin-4-yl]-3-methylmorpholine
CID 167270193
4-[6-(1,4-dimethylpyrazol-5-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 139406033

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine (CID 164581389) is (3R)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine is Cc1noc(C)c1-c1csc2c(N3CCOC[C@H]3C)nc(-c3cccc4[nH]ccc34)nc12.
What is the InChIKey of (3R)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine?
The InChIKey is NEIZBWZTKDZMDU-CYBMUJFWSA-N. The full InChI is InChI=1S/C24H23N5O2S/c1-13-11-30-10-9-29(13)24-22-21(18(12-32-22)20-14(2)28-31-15(20)3)26-23(27-24)17-5-4-6-19-16(17)7-8-25-19/h4-8,12-13,25H,9-11H2,1-3H3/t13-/m1/s1.
What are the key properties of (3R)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine?
(3R)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine has a molecular weight of 445.55 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-3-methylmorpholine is sourced from PubChem (CID 164581389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).