5-(cyclopropylamino)-3-methyl-7-[3-methylsulfonyl-4-(morpholin-4-ylmethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one

C23H27N5O4S — CID 66959214

About 5-(cyclopropylamino)-3-methyl-7-[3-methylsulfonyl-4-(morpholin-4-ylmethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one

5-(cyclopropylamino)-3-methyl-7-[3-methylsulfonyl-4-(morpholin-4-ylmethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959214) has the molecular formula C23H27N5O4S and a molecular weight of 469.57 g/mol. Its IUPAC name is 5-(cyclopropylamino)-3-methyl-7-[3-methylsulfonyl-4-(morpholin-4-ylmethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 5-(cyclopropylamino)-3-methyl-7-[3-methylsulfonyl-4-(morpholin-4-ylmethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 66959214
• Molecular Formula: C23H27N5O4S
• Molecular Weight: 469.57 g/mol
• Exact Mass: 469.18
• IUPAC Name: 5-(cyclopropylamino)-3-methyl-7-[3-methylsulfonyl-4-(morpholin-4-ylmethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one
• SMILES: Cn1cnc2cc(-c3ccc(CN4CCOCC4)c(S(C)(=O)=O)c3)nc(NC3CC3)c2c1=O
• InChI: InChI=1S/C23H27N5O4S/c1-27-14-24-19-12-18(26-22(21(19)23(27)29)25-17-5-6-17)15-3-4-16(20(11-15)33(2,30)31)13-28-7-9-32-10-8-28/h3-4,11-12,14,17H,5-10,13H2,1-2H3,(H,25,26)
• InChIKey: YLAUYKFHYYCGEA-UHFFFAOYSA-N
• XLogP: 1.81
• TPSA: 106.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.57
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-3-methyl-7-[3-methylsulfonyl-4-(morpholin-4-ylmethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 5-(cyclopropylamino)-3-methyl-7-[3-methylsulfonyl-4-(morpholin-4-ylmethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one (CID 66959214) is 5-(cyclopropylamino)-3-methyl-7-[3-methylsulfonyl-4-(morpholin-4-ylmethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 5-(cyclopropylamino)-3-methyl-7-[3-methylsulfonyl-4-(morpholin-4-ylmethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 5-(cyclopropylamino)-3-methyl-7-[3-methylsulfonyl-4-(morpholin-4-ylmethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one is Cn1cnc2cc(-c3ccc(CN4CCOCC4)c(S(C)(=O)=O)c3)nc(NC3CC3)c2c1=O.

What is the InChIKey of 5-(cyclopropylamino)-3-methyl-7-[3-methylsulfonyl-4-(morpholin-4-ylmethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one?

The InChIKey is YLAUYKFHYYCGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4S/c1-27-14-24-19-12-18(26-22(21(19)23(27)29)25-17-5-6-17)15-3-4-16(20(11-15)33(2,30)31)13-28-7-9-32-10-8-28/h3-4,11-12,14,17H,5-10,13H2,1-2H3,(H,25,26).

What are the key properties of 5-(cyclopropylamino)-3-methyl-7-[3-methylsulfonyl-4-(morpholin-4-ylmethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one?

5-(cyclopropylamino)-3-methyl-7-[3-methylsulfonyl-4-(morpholin-4-ylmethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 469.57 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(cyclopropylamino)-3-methyl-7-[3-methylsulfonyl-4-(morpholin-4-ylmethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).