3-[(2,4-dimethoxyphenyl)methyl]-1-[5-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione

C31H35N7O5 — CID 165128499

About 3-[(2,4-dimethoxyphenyl)methyl]-1-[5-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione

3-[(2,4-dimethoxyphenyl)methyl]-1-[5-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 165128499) has the molecular formula C31H35N7O5 and a molecular weight of 585.67 g/mol. Its IUPAC name is 3-[(2,4-dimethoxyphenyl)methyl]-1-[5-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

• Compound Name: 3-[(2,4-dimethoxyphenyl)methyl]-1-[5-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
• PubChem CID: 165128499
• Molecular Formula: C31H35N7O5
• Molecular Weight: 585.67 g/mol
• Exact Mass: 585.27
• IUPAC Name: 3-[(2,4-dimethoxyphenyl)methyl]-1-[5-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
• SMILES: COc1ccc(CN2C(=O)CCN(c3cnn4ccc(CC5CCN(c6nccc(OC)n6)CC5)cc34)C2=O)c(OC)c1
• InChI: InChI=1S/C31H35N7O5/c1-41-24-5-4-23(27(18-24)42-2)20-37-29(39)10-14-36(31(37)40)26-19-33-38-15-9-22(17-25(26)38)16-21-7-12-35(13-8-21)30-32-11-6-28(34-30)43-3/h4-6,9,11,15,17-19,21H,7-8,10,12-14,16,20H2,1-3H3
• InChIKey: CUEHBMVZCBNSCN-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 114.63 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	585.67
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethoxyphenyl)methyl]-1-[5-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?

The IUPAC name of 3-[(2,4-dimethoxyphenyl)methyl]-1-[5-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione (CID 165128499) is 3-[(2,4-dimethoxyphenyl)methyl]-1-[5-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione.

What is the SMILES notation for 3-[(2,4-dimethoxyphenyl)methyl]-1-[5-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?

The canonical SMILES for 3-[(2,4-dimethoxyphenyl)methyl]-1-[5-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione is COc1ccc(CN2C(=O)CCN(c3cnn4ccc(CC5CCN(c6nccc(OC)n6)CC5)cc34)C2=O)c(OC)c1.

What is the InChIKey of 3-[(2,4-dimethoxyphenyl)methyl]-1-[5-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?

The InChIKey is CUEHBMVZCBNSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N7O5/c1-41-24-5-4-23(27(18-24)42-2)20-37-29(39)10-14-36(31(37)40)26-19-33-38-15-9-22(17-25(26)38)16-21-7-12-35(13-8-21)30-32-11-6-28(34-30)43-3/h4-6,9,11,15,17-19,21H,7-8,10,12-14,16,20H2,1-3H3.

What are the key properties of 3-[(2,4-dimethoxyphenyl)methyl]-1-[5-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?

3-[(2,4-dimethoxyphenyl)methyl]-1-[5-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 585.67 g/mol, XLogP of 3.97, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2,4-dimethoxyphenyl)methyl]-1-[5-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 165128499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).