5-morpholin-4-yl-3-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]thieno[3,2-b]pyran-7-one

C25H25N5O4S — CID 158740173

IUPAC5-morpholin-4-yl-3-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]thieno[3,2-b]pyran-7-one
SMILESO=c1cc(N2CCOCC2)oc2c(-c3ccc(Nc4nccc(N5CCOCC5)n4)cc3)csc12
InChIInChI=1S/C25H25N5O4S/c31-20-15-22(30-9-13-33-14-10-30)34-23-19(16-35-24(20)23)17-1-3-18(4-2-17)27-25-26-6-5-21(28-25)29-7-11-32-12-8-29/h1-6,15-16H,7-14H2,(H,26,27,28)
InChIKeyIMEQTRZDIZFADI-UHFFFAOYSA-N
MW491.57 g/mol
LogP3.73
Rot. Bonds5

About 5-morpholin-4-yl-3-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]thieno[3,2-b]pyran-7-one

5-morpholin-4-yl-3-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]thieno[3,2-b]pyran-7-one (PubChem CID 158740173) has the molecular formula C25H25N5O4S and a molecular weight of 491.57 g/mol. Its IUPAC name is 5-morpholin-4-yl-3-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]thieno[3,2-b]pyran-7-one.

Molecular Properties

Compound Name5-morpholin-4-yl-3-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]thieno[3,2-b]pyran-7-one
PubChem CID158740173
Molecular FormulaC25H25N5O4S
Molecular Weight491.57 g/mol
Exact Mass491.16
IUPAC Name5-morpholin-4-yl-3-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]thieno[3,2-b]pyran-7-one
SMILESO=c1cc(N2CCOCC2)oc2c(-c3ccc(Nc4nccc(N5CCOCC5)n4)cc3)csc12
InChIInChI=1S/C25H25N5O4S/c31-20-15-22(30-9-13-33-14-10-30)34-23-19(16-35-24(20)23)17-1-3-18(4-2-17)27-25-26-6-5-21(28-25)29-7-11-32-12-8-29/h1-6,15-16H,7-14H2,(H,26,27,28)
InChIKeyIMEQTRZDIZFADI-UHFFFAOYSA-N
XLogP3.73
TPSA92.96 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-morpholin-4-yl-3-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]thieno[3,2-b]pyran-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-[4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)anilino]pyrimidin-4-yl]amino]acetamide
CID 146656493
2-[[2-[4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)anilino]pyrimidin-4-yl]amino]acetate
CID 157160803
3-methyl-N-[2-[4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)anilino]pyrimidin-4-yl]butanamide
CID 158638225
3-[4-[[4-[3-methyl-4-(3-methylsulfonylpropyl)pyrazol-1-yl]pyrimidin-2-yl]amino]phenyl]-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
CID 167634489
3-[4-[[4-[2-hydroxyethyl(propyl)amino]pyrimidin-2-yl]amino]phenyl]-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
CID 167596376
3-[4-[[4-[4-[(3-hydroxypyrrolidin-1-ium-1-yl)methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]phenyl]-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
CID 157069166
ethane;5-morpholin-4-yl-3-phenylthieno[3,2-b]pyran-7-one
CID 143839150
N-hydroxy-4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)benzamide
CID 118547301
5-morpholin-4-yl-3-(1H-pyrazol-5-yl)thieno[3,2-b]pyran-7-one
CID 118547303
7-cyclopentyl-2-[3-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)anilino]pyrrolo[2,3-d]pyrimidine-6-carbaldehyde
CID 135275912
4-(2-morpholin-4-yl-4-pyridinyl)-N-phenylpyrimidin-2-amine
CID 71458570
N-(3,4-dichlorophenyl)-4-morpholin-4-ylpyrimidin-2-amine
CID 112886522

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-3-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]thieno[3,2-b]pyran-7-one?
The IUPAC name of 5-morpholin-4-yl-3-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]thieno[3,2-b]pyran-7-one (CID 158740173) is 5-morpholin-4-yl-3-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]thieno[3,2-b]pyran-7-one.
What is the SMILES notation for 5-morpholin-4-yl-3-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]thieno[3,2-b]pyran-7-one?
The canonical SMILES for 5-morpholin-4-yl-3-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]thieno[3,2-b]pyran-7-one is O=c1cc(N2CCOCC2)oc2c(-c3ccc(Nc4nccc(N5CCOCC5)n4)cc3)csc12.
What is the InChIKey of 5-morpholin-4-yl-3-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]thieno[3,2-b]pyran-7-one?
The InChIKey is IMEQTRZDIZFADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4S/c31-20-15-22(30-9-13-33-14-10-30)34-23-19(16-35-24(20)23)17-1-3-18(4-2-17)27-25-26-6-5-21(28-25)29-7-11-32-12-8-29/h1-6,15-16H,7-14H2,(H,26,27,28).
What are the key properties of 5-morpholin-4-yl-3-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]thieno[3,2-b]pyran-7-one?
5-morpholin-4-yl-3-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]thieno[3,2-b]pyran-7-one has a molecular weight of 491.57 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-3-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]thieno[3,2-b]pyran-7-one is sourced from PubChem (CID 158740173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).