5-(ethylamino)-7-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one

C21H25N5O5S — CID 66958829

IUPAC5-(ethylamino)-7-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCCNc1nc(-c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C21H25N5O5S/c1-4-22-20-19-16(23-13-25(2)21(19)27)12-15(24-20)14-5-6-17(30-3)18(11-14)32(28,29)26-7-9-31-10-8-26/h5-6,11-13H,4,7-10H2,1-3H3,(H,22,24)
InChIKeyWMONYOHJAYUUAE-UHFFFAOYSA-N
MW459.53 g/mol
LogP1.46
Rot. Bonds6

About 5-(ethylamino)-7-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one

5-(ethylamino)-7-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 66958829) has the molecular formula C21H25N5O5S and a molecular weight of 459.53 g/mol. Its IUPAC name is 5-(ethylamino)-7-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(ethylamino)-7-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one
PubChem CID66958829
Molecular FormulaC21H25N5O5S
Molecular Weight459.53 g/mol
Exact Mass459.16
IUPAC Name5-(ethylamino)-7-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCCNc1nc(-c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C21H25N5O5S/c1-4-22-20-19-16(23-13-25(2)21(19)27)12-15(24-20)14-5-6-17(30-3)18(11-14)32(28,29)26-7-9-31-10-8-26/h5-6,11-13H,4,7-10H2,1-3H3,(H,22,24)
InChIKeyWMONYOHJAYUUAE-UHFFFAOYSA-N
XLogP1.46
TPSA115.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-7-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(ethylamino)-7-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one (CID 66958829) is 5-(ethylamino)-7-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(ethylamino)-7-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(ethylamino)-7-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one is CCNc1nc(-c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc2ncn(C)c(=O)c12.
What is the InChIKey of 5-(ethylamino)-7-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is WMONYOHJAYUUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O5S/c1-4-22-20-19-16(23-13-25(2)21(19)27)12-15(24-20)14-5-6-17(30-3)18(11-14)32(28,29)26-7-9-31-10-8-26/h5-6,11-13H,4,7-10H2,1-3H3,(H,22,24).
What are the key properties of 5-(ethylamino)-7-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one?
5-(ethylamino)-7-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 459.53 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-7-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66958829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).