4-morpholin-4-yl-6-[7-(pyrimidin-5-ylmethylamino)-9H-thioxanthen-4-yl]-1H-pyridin-2-one

C27H25N5O2S — CID 154407612

IUPAC4-morpholin-4-yl-6-[7-(pyrimidin-5-ylmethylamino)-9H-thioxanthen-4-yl]-1H-pyridin-2-one
SMILESO=c1cc(N2CCOCC2)cc(-c2cccc3c2Sc2ccc(NCc4cncnc4)cc2C3)[nH]1
InChIInChI=1S/C27H25N5O2S/c33-26-13-22(32-6-8-34-9-7-32)12-24(31-26)23-3-1-2-19-10-20-11-21(4-5-25(20)35-27(19)23)30-16-18-14-28-17-29-15-18/h1-5,11-15,17,30H,6-10,16H2,(H,31,33)
InChIKeyQPMCJNWWAWXPSB-UHFFFAOYSA-N
MW483.60 g/mol
LogP4.34
Rot. Bonds5

About 4-morpholin-4-yl-6-[7-(pyrimidin-5-ylmethylamino)-9H-thioxanthen-4-yl]-1H-pyridin-2-one

4-morpholin-4-yl-6-[7-(pyrimidin-5-ylmethylamino)-9H-thioxanthen-4-yl]-1H-pyridin-2-one (PubChem CID 154407612) has the molecular formula C27H25N5O2S and a molecular weight of 483.60 g/mol. Its IUPAC name is 4-morpholin-4-yl-6-[7-(pyrimidin-5-ylmethylamino)-9H-thioxanthen-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-morpholin-4-yl-6-[7-(pyrimidin-5-ylmethylamino)-9H-thioxanthen-4-yl]-1H-pyridin-2-one
PubChem CID154407612
Molecular FormulaC27H25N5O2S
Molecular Weight483.60 g/mol
Exact Mass483.17
IUPAC Name4-morpholin-4-yl-6-[7-(pyrimidin-5-ylmethylamino)-9H-thioxanthen-4-yl]-1H-pyridin-2-one
SMILESO=c1cc(N2CCOCC2)cc(-c2cccc3c2Sc2ccc(NCc4cncnc4)cc2C3)[nH]1
InChIInChI=1S/C27H25N5O2S/c33-26-13-22(32-6-8-34-9-7-32)12-24(31-26)23-3-1-2-19-10-20-11-21(4-5-25(20)35-27(19)23)30-16-18-14-28-17-29-15-18/h1-5,11-15,17,30H,6-10,16H2,(H,31,33)
InChIKeyQPMCJNWWAWXPSB-UHFFFAOYSA-N
XLogP4.34
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.60
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-morpholin-4-yl-6-[7-(pyrimidin-5-ylmethylamino)-9H-thioxanthen-4-yl]-1H-pyridin-2-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

4-morpholin-4-yl-6-[7-(pyrazin-2-ylmethylamino)-9H-thioxanthen-4-yl]-1H-pyridin-2-one
CID 121393787
4-morpholin-4-yl-6-[7-[(5-pyrrol-1-yl-3-pyridinyl)methylamino]thianthren-1-yl]-1H-pyridin-2-one
CID 154407581
4-morpholin-4-yl-6-[7-(pyridin-4-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one
CID 121394374
5-[[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]methyl]pyridine-3-carbonitrile
CID 121394791
4-morpholin-4-yl-6-[7-[[5-(propan-2-ylamino)-3-pyridinyl]methylamino]-9H-xanthen-4-yl]-1H-pyridin-2-one
CID 121467887
6-[7-[(6-chloro-3-pyridinyl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121468024
6-[7-[[6-(methylamino)-3-pyridinyl]methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121393969
6-[7-[(5-cyclopent-2-en-1-yl-3-pyridinyl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121467604
4-morpholin-4-yl-6-[7-(2-morpholin-4-ylethylamino)thianthren-1-yl]-1H-pyridin-2-one
CID 121394899
6-[7-[(6-methylpyrazin-2-yl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121395163
6-[7-[(5-methyl-2-pyridinyl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121394784
4-morpholin-4-yl-6-[7-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]thianthren-1-yl]-1H-pyridin-2-one
CID 121393816

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-6-[7-(pyrimidin-5-ylmethylamino)-9H-thioxanthen-4-yl]-1H-pyridin-2-one?
The IUPAC name of 4-morpholin-4-yl-6-[7-(pyrimidin-5-ylmethylamino)-9H-thioxanthen-4-yl]-1H-pyridin-2-one (CID 154407612) is 4-morpholin-4-yl-6-[7-(pyrimidin-5-ylmethylamino)-9H-thioxanthen-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-morpholin-4-yl-6-[7-(pyrimidin-5-ylmethylamino)-9H-thioxanthen-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-morpholin-4-yl-6-[7-(pyrimidin-5-ylmethylamino)-9H-thioxanthen-4-yl]-1H-pyridin-2-one is O=c1cc(N2CCOCC2)cc(-c2cccc3c2Sc2ccc(NCc4cncnc4)cc2C3)[nH]1.
What is the InChIKey of 4-morpholin-4-yl-6-[7-(pyrimidin-5-ylmethylamino)-9H-thioxanthen-4-yl]-1H-pyridin-2-one?
The InChIKey is QPMCJNWWAWXPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2S/c33-26-13-22(32-6-8-34-9-7-32)12-24(31-26)23-3-1-2-19-10-20-11-21(4-5-25(20)35-27(19)23)30-16-18-14-28-17-29-15-18/h1-5,11-15,17,30H,6-10,16H2,(H,31,33).
What are the key properties of 4-morpholin-4-yl-6-[7-(pyrimidin-5-ylmethylamino)-9H-thioxanthen-4-yl]-1H-pyridin-2-one?
4-morpholin-4-yl-6-[7-(pyrimidin-5-ylmethylamino)-9H-thioxanthen-4-yl]-1H-pyridin-2-one has a molecular weight of 483.60 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-6-[7-(pyrimidin-5-ylmethylamino)-9H-thioxanthen-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 154407612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).