1-[7-[1-[[4-(5-aminoindazol-2-yl)cyclohexyl]methyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione

C30H36N8O2 — CID 163400257

About 1-[7-[1-[[4-(5-aminoindazol-2-yl)cyclohexyl]methyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione

1-[7-[1-[[4-(5-aminoindazol-2-yl)cyclohexyl]methyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 163400257) has the molecular formula C30H36N8O2 and a molecular weight of 540.67 g/mol. Its IUPAC name is 1-[7-[1-[[4-(5-aminoindazol-2-yl)cyclohexyl]methyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

• Compound Name: 1-[7-[1-[[4-(5-aminoindazol-2-yl)cyclohexyl]methyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
• PubChem CID: 163400257
• Molecular Formula: C30H36N8O2
• Molecular Weight: 540.67 g/mol
• Exact Mass: 540.30
• IUPAC Name: 1-[7-[1-[[4-(5-aminoindazol-2-yl)cyclohexyl]methyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
• SMILES: Nc1ccc2nn(C3CCC(CN4CCC(c5ccn6c(N7CCC(=O)NC7=O)cnc6c5)CC4)CC3)cc2c1
• InChI: InChI=1S/C30H36N8O2/c31-24-3-6-26-23(15-24)19-38(34-26)25-4-1-20(2-5-25)18-35-11-7-21(8-12-35)22-9-13-36-27(16-22)32-17-29(36)37-14-10-28(39)33-30(37)40/h3,6,9,13,15-17,19-21,25H,1-2,4-5,7-8,10-12,14,18,31H2,(H,33,39,40)
• InChIKey: UZYKUXUUGLKCAP-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 113.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.67
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[7-[1-[[4-(5-aminoindazol-2-yl)cyclohexyl]methyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?

The IUPAC name of 1-[7-[1-[[4-(5-aminoindazol-2-yl)cyclohexyl]methyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione (CID 163400257) is 1-[7-[1-[[4-(5-aminoindazol-2-yl)cyclohexyl]methyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione.

What is the SMILES notation for 1-[7-[1-[[4-(5-aminoindazol-2-yl)cyclohexyl]methyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?

The canonical SMILES for 1-[7-[1-[[4-(5-aminoindazol-2-yl)cyclohexyl]methyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione is Nc1ccc2nn(C3CCC(CN4CCC(c5ccn6c(N7CCC(=O)NC7=O)cnc6c5)CC4)CC3)cc2c1.

What is the InChIKey of 1-[7-[1-[[4-(5-aminoindazol-2-yl)cyclohexyl]methyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?

The InChIKey is UZYKUXUUGLKCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N8O2/c31-24-3-6-26-23(15-24)19-38(34-26)25-4-1-20(2-5-25)18-35-11-7-21(8-12-35)22-9-13-36-27(16-22)32-17-29(36)37-14-10-28(39)33-30(37)40/h3,6,9,13,15-17,19-21,25H,1-2,4-5,7-8,10-12,14,18,31H2,(H,33,39,40).

What are the key properties of 1-[7-[1-[[4-(5-aminoindazol-2-yl)cyclohexyl]methyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione?

1-[7-[1-[[4-(5-aminoindazol-2-yl)cyclohexyl]methyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 540.67 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-[1-[[4-(5-aminoindazol-2-yl)cyclohexyl]methyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 163400257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).