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

C27H23F5N8O — CID 59312982

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

6-[2-[[2-(4,4-difluoropiperidine-1-carbonyl)-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile (PubChem CID 59312982) has the molecular formula C27H23F5N8O and a molecular weight of 570.53 g/mol. Its IUPAC name is 6-[2-[[2-(4,4-difluoropiperidine-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-(4,4-difluoropiperidine-1-carbonyl)-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile
• PubChem CID: 59312982
• Molecular Formula: C27H23F5N8O
• Molecular Weight: 570.53 g/mol
• Exact Mass: 570.19
• IUPAC Name: 6-[2-[[2-(4,4-difluoropiperidine-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(F)(F)CC4)cn23)nc1
• InChI: InChI=1S/C27H23F5N8O/c28-26(29)7-11-39(12-8-26)24(41)21-16-40-23(37-21)13-20(18-2-4-19(5-3-18)27(30,31)32)38-25(40)35-10-9-34-22-6-1-17(14-33)15-36-22/h1-6,13,15-16H,7-12H2,(H,34,36)(H,35,38)
• InChIKey: MGNNWMJETHBAIJ-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 111.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.53
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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-(4,4-difluoropiperidine-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-(4,4-difluoropiperidine-1-carbonyl)-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile (CID 59312982) is 6-[2-[[2-(4,4-difluoropiperidine-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-(4,4-difluoropiperidine-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-(4,4-difluoropiperidine-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(F)(F)CC4)cn23)nc1.

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

The InChIKey is MGNNWMJETHBAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F5N8O/c28-26(29)7-11-39(12-8-26)24(41)21-16-40-23(37-21)13-20(18-2-4-19(5-3-18)27(30,31)32)38-25(40)35-10-9-34-22-6-1-17(14-33)15-36-22/h1-6,13,15-16H,7-12H2,(H,34,36)(H,35,38).

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

6-[2-[[2-(4,4-difluoropiperidine-1-carbonyl)-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile has a molecular weight of 570.53 g/mol, XLogP of 5.08, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[[2-(4,4-difluoropiperidine-1-carbonyl)-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 59312982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).