3-[(2,4-dimethoxyphenyl)methyl]-1-[5-[[(3S)-3-methyl-4-(2-methyl-2-azaspiro[3.3]heptan-6-yl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione

C33H43N7O4 — CID 165128608

About 3-[(2,4-dimethoxyphenyl)methyl]-1-[5-[[(3S)-3-methyl-4-(2-methyl-2-azaspiro[3.3]heptan-6-yl)piperazin-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-(2-methyl-2-azaspiro[3.3]heptan-6-yl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 165128608) has the molecular formula C33H43N7O4 and a molecular weight of 601.75 g/mol. Its IUPAC name is 3-[(2,4-dimethoxyphenyl)methyl]-1-[5-[[(3S)-3-methyl-4-(2-methyl-2-azaspiro[3.3]heptan-6-yl)piperazin-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-(2-methyl-2-azaspiro[3.3]heptan-6-yl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
• PubChem CID: 165128608
• Molecular Formula: C33H43N7O4
• Molecular Weight: 601.75 g/mol
• Exact Mass: 601.34
• IUPAC Name: 3-[(2,4-dimethoxyphenyl)methyl]-1-[5-[[(3S)-3-methyl-4-(2-methyl-2-azaspiro[3.3]heptan-6-yl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
• SMILES: COc1ccc(CN2C(=O)CCN(c3cnn4ccc(CN5CCN(C6CC7(C6)CN(C)C7)[C@@H](C)C5)cc34)C2=O)c(OC)c1
• InChI: InChI=1S/C33H43N7O4/c1-23-18-36(11-12-37(23)26-15-33(16-26)21-35(2)22-33)19-24-7-10-40-28(13-24)29(17-34-40)38-9-8-31(41)39(32(38)42)20-25-5-6-27(43-3)14-30(25)44-4/h5-7,10,13-14,17,23,26H,8-9,11-12,15-16,18-22H2,1-4H3/t23-/m0/s1
• InChIKey: DYTYUZIMOLKENJ-QHCPKHFHSA-N
• XLogP: 3.31
• TPSA: 86.10 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	601.75
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	0
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-(2-methyl-2-azaspiro[3.3]heptan-6-yl)piperazin-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-(2-methyl-2-azaspiro[3.3]heptan-6-yl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione (CID 165128608) is 3-[(2,4-dimethoxyphenyl)methyl]-1-[5-[[(3S)-3-methyl-4-(2-methyl-2-azaspiro[3.3]heptan-6-yl)piperazin-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-(2-methyl-2-azaspiro[3.3]heptan-6-yl)piperazin-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-(2-methyl-2-azaspiro[3.3]heptan-6-yl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione is COc1ccc(CN2C(=O)CCN(c3cnn4ccc(CN5CCN(C6CC7(C6)CN(C)C7)[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-(2-methyl-2-azaspiro[3.3]heptan-6-yl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?

The InChIKey is DYTYUZIMOLKENJ-QHCPKHFHSA-N. The full InChI is InChI=1S/C33H43N7O4/c1-23-18-36(11-12-37(23)26-15-33(16-26)21-35(2)22-33)19-24-7-10-40-28(13-24)29(17-34-40)38-9-8-31(41)39(32(38)42)20-25-5-6-27(43-3)14-30(25)44-4/h5-7,10,13-14,17,23,26H,8-9,11-12,15-16,18-22H2,1-4H3/t23-/m0/s1.

What are the key properties of 3-[(2,4-dimethoxyphenyl)methyl]-1-[5-[[(3S)-3-methyl-4-(2-methyl-2-azaspiro[3.3]heptan-6-yl)piperazin-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-(2-methyl-2-azaspiro[3.3]heptan-6-yl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 601.75 g/mol, XLogP of 3.31, 8 rotatable bonds, 0 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-(2-methyl-2-azaspiro[3.3]heptan-6-yl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 165128608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).