2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide

C24H28N6O3S — CID 59703434

IUPAC2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide
SMILESCOc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCSCC4)nc3n2)cc1C(N)=O
InChIInChI=1S/C24H28N6O3S/c1-15-14-33-10-7-30(15)23-17-4-5-19(16-3-6-20(32-2)18(13-16)21(25)31)26-22(17)27-24(28-23)29-8-11-34-12-9-29/h3-6,13,15H,7-12,14H2,1-2H3,(H2,25,31)/t15-/m0/s1
InChIKeyUJPMFCAOZIBNRL-HNNXBMFYSA-N
MW480.59 g/mol
LogP2.58
Rot. Bonds5

About 2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide

2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide (PubChem CID 59703434) has the molecular formula C24H28N6O3S and a molecular weight of 480.59 g/mol. Its IUPAC name is 2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide
PubChem CID59703434
Molecular FormulaC24H28N6O3S
Molecular Weight480.59 g/mol
Exact Mass480.19
IUPAC Name2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide
SMILESCOc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCSCC4)nc3n2)cc1C(N)=O
InChIInChI=1S/C24H28N6O3S/c1-15-14-33-10-7-30(15)23-17-4-5-19(16-3-6-20(32-2)18(13-16)21(25)31)26-22(17)27-24(28-23)29-8-11-34-12-9-29/h3-6,13,15H,7-12,14H2,1-2H3,(H2,25,31)/t15-/m0/s1
InChIKeyUJPMFCAOZIBNRL-HNNXBMFYSA-N
XLogP2.58
TPSA106.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide?
The IUPAC name of 2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide (CID 59703434) is 2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide.
What is the SMILES notation for 2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide?
The canonical SMILES for 2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide is COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCSCC4)nc3n2)cc1C(N)=O.
What is the InChIKey of 2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide?
The InChIKey is UJPMFCAOZIBNRL-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H28N6O3S/c1-15-14-33-10-7-30(15)23-17-4-5-19(16-3-6-20(32-2)18(13-16)21(25)31)26-22(17)27-24(28-23)29-8-11-34-12-9-29/h3-6,13,15H,7-12,14H2,1-2H3,(H2,25,31)/t15-/m0/s1.
What are the key properties of 2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide?
2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide has a molecular weight of 480.59 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[4-[(3S)-3-methylmorpholin-4-yl]-2-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]benzamide is sourced from PubChem (CID 59703434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).