4,5-diethyl-6-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N-(6,6,7,7,7-pentafluoro-2-methylhept-2-en-3-yl)formamide

C32H43F5N10O5 — CID 177030848

About 4,5-diethyl-6-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N-(6,6,7,7,7-pentafluoro-2-methylhept-2-en-3-yl)formamide

4,5-diethyl-6-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N-(6,6,7,7,7-pentafluoro-2-methylhept-2-en-3-yl)formamide (PubChem CID 177030848) has the molecular formula C32H43F5N10O5 and a molecular weight of 742.75 g/mol. Its IUPAC name is 4,5-diethyl-6-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N-(6,6,7,7,7-pentafluoro-2-methylhept-2-en-3-yl)formamide.

Molecular Properties

• Compound Name: 4,5-diethyl-6-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N-(6,6,7,7,7-pentafluoro-2-methylhept-2-en-3-yl)formamide
• PubChem CID: 177030848
• Molecular Formula: C32H43F5N10O5
• Molecular Weight: 742.75 g/mol
• Exact Mass: 742.33
• IUPAC Name: 4,5-diethyl-6-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N-(6,6,7,7,7-pentafluoro-2-methylhept-2-en-3-yl)formamide
• SMILES: CC(C)=C(CCC(F)(F)C(F)(F)F)NC=O.CCc1c(N2CCN(C(=O)c3ncnc(C)c3O)CC2)c(=O)n2nc(N3CCOCC3)nc2n1CC
• InChI: InChI=1S/C23H31N9O4.C9H12F5NO/c1-4-16-18(28-6-8-29(9-7-28)20(34)17-19(33)15(3)24-14-25-17)21(35)32-23(31(16)5-2)26-22(27-32)30-10-12-36-13-11-30;1-6(2)7(15-5-16)3-4-8(10,11)9(12,13)14/h14,33H,4-13H2,1-3H3;5H,3-4H2,1-2H3,(H,15,16)
• InChIKey: DJXAAEFMLYXALD-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 163.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	742.75
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-6-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N-(6,6,7,7,7-pentafluoro-2-methylhept-2-en-3-yl)formamide?

The IUPAC name of 4,5-diethyl-6-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N-(6,6,7,7,7-pentafluoro-2-methylhept-2-en-3-yl)formamide (CID 177030848) is 4,5-diethyl-6-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N-(6,6,7,7,7-pentafluoro-2-methylhept-2-en-3-yl)formamide.

What is the SMILES notation for 4,5-diethyl-6-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N-(6,6,7,7,7-pentafluoro-2-methylhept-2-en-3-yl)formamide?

The canonical SMILES for 4,5-diethyl-6-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N-(6,6,7,7,7-pentafluoro-2-methylhept-2-en-3-yl)formamide is CC(C)=C(CCC(F)(F)C(F)(F)F)NC=O.CCc1c(N2CCN(C(=O)c3ncnc(C)c3O)CC2)c(=O)n2nc(N3CCOCC3)nc2n1CC.

What is the InChIKey of 4,5-diethyl-6-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N-(6,6,7,7,7-pentafluoro-2-methylhept-2-en-3-yl)formamide?

The InChIKey is DJXAAEFMLYXALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N9O4.C9H12F5NO/c1-4-16-18(28-6-8-29(9-7-28)20(34)17-19(33)15(3)24-14-25-17)21(35)32-23(31(16)5-2)26-22(27-32)30-10-12-36-13-11-30;1-6(2)7(15-5-16)3-4-8(10,11)9(12,13)14/h14,33H,4-13H2,1-3H3;5H,3-4H2,1-2H3,(H,15,16).

What are the key properties of 4,5-diethyl-6-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N-(6,6,7,7,7-pentafluoro-2-methylhept-2-en-3-yl)formamide?

4,5-diethyl-6-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N-(6,6,7,7,7-pentafluoro-2-methylhept-2-en-3-yl)formamide has a molecular weight of 742.75 g/mol, XLogP of 3.08, 10 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-diethyl-6-[4-(5-hydroxy-6-methylpyrimidine-4-carbonyl)piperazin-1-yl]-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;N-(6,6,7,7,7-pentafluoro-2-methylhept-2-en-3-yl)formamide is sourced from PubChem (CID 177030848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).