5-(cyclopropylamino)-3-methyl-7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one

C23H25N5O3 — CID 50923702

IUPAC5-(cyclopropylamino)-3-methyl-7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(CC(=O)N4CCOCC4)cc3)nc(NC3CC3)c2c1=O
InChIInChI=1S/C23H25N5O3/c1-27-14-24-19-13-18(26-22(21(19)23(27)30)25-17-6-7-17)16-4-2-15(3-5-16)12-20(29)28-8-10-31-11-9-28/h2-5,13-14,17H,6-12H2,1H3,(H,25,26)
InChIKeyXJNUARSQSDHLOF-UHFFFAOYSA-N
MW419.49 g/mol
LogP1.97
Rot. Bonds5

About 5-(cyclopropylamino)-3-methyl-7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one

5-(cyclopropylamino)-3-methyl-7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one (PubChem CID 50923702) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 5-(cyclopropylamino)-3-methyl-7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(cyclopropylamino)-3-methyl-7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one
PubChem CID50923702
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name5-(cyclopropylamino)-3-methyl-7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(CC(=O)N4CCOCC4)cc3)nc(NC3CC3)c2c1=O
InChIInChI=1S/C23H25N5O3/c1-27-14-24-19-13-18(26-22(21(19)23(27)30)25-17-6-7-17)16-4-2-15(3-5-16)12-20(29)28-8-10-31-11-9-28/h2-5,13-14,17H,6-12H2,1H3,(H,25,26)
InChIKeyXJNUARSQSDHLOF-UHFFFAOYSA-N
XLogP1.97
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-3-methyl-7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(cyclopropylamino)-3-methyl-7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one (CID 50923702) is 5-(cyclopropylamino)-3-methyl-7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(cyclopropylamino)-3-methyl-7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(cyclopropylamino)-3-methyl-7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one is Cn1cnc2cc(-c3ccc(CC(=O)N4CCOCC4)cc3)nc(NC3CC3)c2c1=O.
What is the InChIKey of 5-(cyclopropylamino)-3-methyl-7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is XJNUARSQSDHLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-27-14-24-19-13-18(26-22(21(19)23(27)30)25-17-6-7-17)16-4-2-15(3-5-16)12-20(29)28-8-10-31-11-9-28/h2-5,13-14,17H,6-12H2,1H3,(H,25,26).
What are the key properties of 5-(cyclopropylamino)-3-methyl-7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one?
5-(cyclopropylamino)-3-methyl-7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 419.49 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-3-methyl-7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 50923702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).