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

C31H41N7O4 — CID 170289143

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

3-[(2,4-dimethoxyphenyl)methyl]-1-[5-[[(3S)-3-methyl-4-piperidin-4-ylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 170289143) has the molecular formula C31H41N7O4 and a molecular weight of 575.71 g/mol. Its IUPAC name is 3-[(2,4-dimethoxyphenyl)methyl]-1-[5-[[(3S)-3-methyl-4-piperidin-4-ylpiperazin-1-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-[[(3S)-3-methyl-4-piperidin-4-ylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
• PubChem CID: 170289143
• Molecular Formula: C31H41N7O4
• Molecular Weight: 575.71 g/mol
• Exact Mass: 575.32
• IUPAC Name: 3-[(2,4-dimethoxyphenyl)methyl]-1-[5-[[(3S)-3-methyl-4-piperidin-4-ylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
• SMILES: COc1ccc(CN2C(=O)CCN(c3cnn4ccc(CN5CCN(C6CCNCC6)[C@@H](C)C5)cc34)C2=O)c(OC)c1
• InChI: InChI=1S/C31H41N7O4/c1-22-19-34(14-15-35(22)25-6-10-32-11-7-25)20-23-8-13-38-27(16-23)28(18-33-38)36-12-9-30(39)37(31(36)40)21-24-4-5-26(41-2)17-29(24)42-3/h4-5,8,13,16-18,22,25,32H,6-7,9-12,14-15,19-21H2,1-3H3/t22-/m0/s1
• InChIKey: DQKZKWODHRCZBH-QFIPXVFZSA-N
• XLogP: 2.97
• TPSA: 94.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.71
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethoxyphenyl)methyl]-1-[5-[[(3S)-3-methyl-4-piperidin-4-ylpiperazin-1-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-[[(3S)-3-methyl-4-piperidin-4-ylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione (CID 170289143) is 3-[(2,4-dimethoxyphenyl)methyl]-1-[5-[[(3S)-3-methyl-4-piperidin-4-ylpiperazin-1-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-[[(3S)-3-methyl-4-piperidin-4-ylpiperazin-1-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-[[(3S)-3-methyl-4-piperidin-4-ylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione is COc1ccc(CN2C(=O)CCN(c3cnn4ccc(CN5CCN(C6CCNCC6)[C@@H](C)C5)cc34)C2=O)c(OC)c1.

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

The InChIKey is DQKZKWODHRCZBH-QFIPXVFZSA-N. The full InChI is InChI=1S/C31H41N7O4/c1-22-19-34(14-15-35(22)25-6-10-32-11-7-25)20-23-8-13-38-27(16-23)28(18-33-38)36-12-9-30(39)37(31(36)40)21-24-4-5-26(41-2)17-29(24)42-3/h4-5,8,13,16-18,22,25,32H,6-7,9-12,14-15,19-21H2,1-3H3/t22-/m0/s1.

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

3-[(2,4-dimethoxyphenyl)methyl]-1-[5-[[(3S)-3-methyl-4-piperidin-4-ylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 575.71 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2,4-dimethoxyphenyl)methyl]-1-[5-[[(3S)-3-methyl-4-piperidin-4-ylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 170289143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).