N-[4-[[4-(cyclopropylamino)-8-[(5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]cyclohexyl]-2-piperidin-1-ylacetamide

C25H36N10O2 — CID 123801820

About N-[4-[[4-(cyclopropylamino)-8-[(5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]cyclohexyl]-2-piperidin-1-ylacetamide

N-[4-[[4-(cyclopropylamino)-8-[(5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]cyclohexyl]-2-piperidin-1-ylacetamide (PubChem CID 123801820) has the molecular formula C25H36N10O2 and a molecular weight of 508.63 g/mol. Its IUPAC name is N-[4-[[4-(cyclopropylamino)-8-[(5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]cyclohexyl]-2-piperidin-1-ylacetamide.

Molecular Properties

• Compound Name: N-[4-[[4-(cyclopropylamino)-8-[(5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]cyclohexyl]-2-piperidin-1-ylacetamide
• PubChem CID: 123801820
• Molecular Formula: C25H36N10O2
• Molecular Weight: 508.63 g/mol
• Exact Mass: 508.30
• IUPAC Name: N-[4-[[4-(cyclopropylamino)-8-[(5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]cyclohexyl]-2-piperidin-1-ylacetamide
• SMILES: O=C(CN1CCCCC1)NC1CCC(Nc2nc(NC3CC3)n3ncc(CC4=NCNC4=O)c3n2)CC1
• InChI: InChI=1S/C25H36N10O2/c36-21(14-34-10-2-1-3-11-34)29-17-4-6-18(7-5-17)30-24-32-22-16(12-20-23(37)27-15-26-20)13-28-35(22)25(33-24)31-19-8-9-19/h13,17-19H,1-12,14-15H2,(H,27,37)(H,29,36)(H2,30,31,32,33)
• InChIKey: BINVKGBEYDZLAQ-UHFFFAOYSA-N
• XLogP: 1.09
• TPSA: 140.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.63
LogP ≤ 5	1.09
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(cyclopropylamino)-8-[(5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]cyclohexyl]-2-piperidin-1-ylacetamide?

The IUPAC name of N-[4-[[4-(cyclopropylamino)-8-[(5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]cyclohexyl]-2-piperidin-1-ylacetamide (CID 123801820) is N-[4-[[4-(cyclopropylamino)-8-[(5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]cyclohexyl]-2-piperidin-1-ylacetamide.

What is the SMILES notation for N-[4-[[4-(cyclopropylamino)-8-[(5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]cyclohexyl]-2-piperidin-1-ylacetamide?

The canonical SMILES for N-[4-[[4-(cyclopropylamino)-8-[(5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]cyclohexyl]-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)NC1CCC(Nc2nc(NC3CC3)n3ncc(CC4=NCNC4=O)c3n2)CC1.

What is the InChIKey of N-[4-[[4-(cyclopropylamino)-8-[(5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]cyclohexyl]-2-piperidin-1-ylacetamide?

The InChIKey is BINVKGBEYDZLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N10O2/c36-21(14-34-10-2-1-3-11-34)29-17-4-6-18(7-5-17)30-24-32-22-16(12-20-23(37)27-15-26-20)13-28-35(22)25(33-24)31-19-8-9-19/h13,17-19H,1-12,14-15H2,(H,27,37)(H,29,36)(H2,30,31,32,33).

What are the key properties of N-[4-[[4-(cyclopropylamino)-8-[(5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]cyclohexyl]-2-piperidin-1-ylacetamide?

N-[4-[[4-(cyclopropylamino)-8-[(5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]cyclohexyl]-2-piperidin-1-ylacetamide has a molecular weight of 508.63 g/mol, XLogP of 1.09, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[4-(cyclopropylamino)-8-[(5-oxo-1,2-dihydroimidazol-4-yl)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]cyclohexyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 123801820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).