7-(3,4-dimethoxyphenyl)-3-methyl-5-[(6-oxopiperidin-3-yl)amino]pyrido[4,3-d]pyrimidin-4-one

C21H23N5O4 — CID 66958745

IUPAC7-(3,4-dimethoxyphenyl)-3-methyl-5-[(6-oxopiperidin-3-yl)amino]pyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CCC(=O)NC3)n2)cc1OC
InChIInChI=1S/C21H23N5O4/c1-26-11-23-15-9-14(12-4-6-16(29-2)17(8-12)30-3)25-20(19(15)21(26)28)24-13-5-7-18(27)22-10-13/h4,6,8-9,11,13H,5,7,10H2,1-3H3,(H,22,27)(H,24,25)
InChIKeyMYUZWLCJLFFHDV-UHFFFAOYSA-N
MW409.45 g/mol
LogP1.70
Rot. Bonds5

About 7-(3,4-dimethoxyphenyl)-3-methyl-5-[(6-oxopiperidin-3-yl)amino]pyrido[4,3-d]pyrimidin-4-one

7-(3,4-dimethoxyphenyl)-3-methyl-5-[(6-oxopiperidin-3-yl)amino]pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66958745) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-3-methyl-5-[(6-oxopiperidin-3-yl)amino]pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-3-methyl-5-[(6-oxopiperidin-3-yl)amino]pyrido[4,3-d]pyrimidin-4-one
PubChem CID66958745
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC Name7-(3,4-dimethoxyphenyl)-3-methyl-5-[(6-oxopiperidin-3-yl)amino]pyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CCC(=O)NC3)n2)cc1OC
InChIInChI=1S/C21H23N5O4/c1-26-11-23-15-9-14(12-4-6-16(29-2)17(8-12)30-3)25-20(19(15)21(26)28)24-13-5-7-18(27)22-10-13/h4,6,8-9,11,13H,5,7,10H2,1-3H3,(H,22,27)(H,24,25)
InChIKeyMYUZWLCJLFFHDV-UHFFFAOYSA-N
XLogP1.70
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyphenyl)-3-methyl-5-[(6-oxopiperidin-3-yl)amino]pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-3-methyl-5-[(6-oxopiperidin-3-yl)amino]pyrido[4,3-d]pyrimidin-4-one (CID 66958745) is 7-(3,4-dimethoxyphenyl)-3-methyl-5-[(6-oxopiperidin-3-yl)amino]pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-3-methyl-5-[(6-oxopiperidin-3-yl)amino]pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-3-methyl-5-[(6-oxopiperidin-3-yl)amino]pyrido[4,3-d]pyrimidin-4-one is COc1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CCC(=O)NC3)n2)cc1OC.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-3-methyl-5-[(6-oxopiperidin-3-yl)amino]pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is MYUZWLCJLFFHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-26-11-23-15-9-14(12-4-6-16(29-2)17(8-12)30-3)25-20(19(15)21(26)28)24-13-5-7-18(27)22-10-13/h4,6,8-9,11,13H,5,7,10H2,1-3H3,(H,22,27)(H,24,25).
What are the key properties of 7-(3,4-dimethoxyphenyl)-3-methyl-5-[(6-oxopiperidin-3-yl)amino]pyrido[4,3-d]pyrimidin-4-one?
7-(3,4-dimethoxyphenyl)-3-methyl-5-[(6-oxopiperidin-3-yl)amino]pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 409.45 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-3-methyl-5-[(6-oxopiperidin-3-yl)amino]pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66958745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).