6-[2-[[2-(4-hydroxypiperidine-1-carbonyl)-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile

C27H25F3N8O2 — CID 59312976

About 6-[2-[[2-(4-hydroxypiperidine-1-carbonyl)-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile

6-[2-[[2-(4-hydroxypiperidine-1-carbonyl)-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile (PubChem CID 59312976) has the molecular formula C27H25F3N8O2 and a molecular weight of 550.55 g/mol. Its IUPAC name is 6-[2-[[2-(4-hydroxypiperidine-1-carbonyl)-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[2-[[2-(4-hydroxypiperidine-1-carbonyl)-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile
• PubChem CID: 59312976
• Molecular Formula: C27H25F3N8O2
• Molecular Weight: 550.55 g/mol
• Exact Mass: 550.21
• IUPAC Name: 6-[2-[[2-(4-hydroxypiperidine-1-carbonyl)-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile
• SMILES: N#Cc1ccc(NCCNc2nc(-c3ccc(C(F)(F)F)cc3)cc3nc(C(=O)N4CCC(O)CC4)cn23)nc1
• InChI: InChI=1S/C27H25F3N8O2/c28-27(29,30)19-4-2-18(3-5-19)21-13-24-35-22(25(40)37-11-7-20(39)8-12-37)16-38(24)26(36-21)33-10-9-32-23-6-1-17(14-31)15-34-23/h1-6,13,15-16,20,39H,7-12H2,(H,32,34)(H,33,36)
• InChIKey: RAVBSPVCORQSBQ-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 131.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.55
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[2-(4-hydroxypiperidine-1-carbonyl)-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile?

The IUPAC name of 6-[2-[[2-(4-hydroxypiperidine-1-carbonyl)-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile (CID 59312976) is 6-[2-[[2-(4-hydroxypiperidine-1-carbonyl)-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[2-[[2-(4-hydroxypiperidine-1-carbonyl)-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile?

The canonical SMILES for 6-[2-[[2-(4-hydroxypiperidine-1-carbonyl)-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile is N#Cc1ccc(NCCNc2nc(-c3ccc(C(F)(F)F)cc3)cc3nc(C(=O)N4CCC(O)CC4)cn23)nc1.

What is the InChIKey of 6-[2-[[2-(4-hydroxypiperidine-1-carbonyl)-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile?

The InChIKey is RAVBSPVCORQSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N8O2/c28-27(29,30)19-4-2-18(3-5-19)21-13-24-35-22(25(40)37-11-7-20(39)8-12-37)16-38(24)26(36-21)33-10-9-32-23-6-1-17(14-31)15-34-23/h1-6,13,15-16,20,39H,7-12H2,(H,32,34)(H,33,36).

What are the key properties of 6-[2-[[2-(4-hydroxypiperidine-1-carbonyl)-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile?

6-[2-[[2-(4-hydroxypiperidine-1-carbonyl)-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile has a molecular weight of 550.55 g/mol, XLogP of 3.80, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[[2-(4-hydroxypiperidine-1-carbonyl)-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 59312976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).