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

C21H16F3N7 — CID 25061424

IUPAC6-[2-[[7-[3-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCCNc2nc(-c3cccc(C(F)(F)F)c3)cc3nccn23)nc1
InChIInChI=1S/C21H16F3N7/c22-21(23,24)16-3-1-2-15(10-16)17-11-19-27-8-9-31(19)20(30-17)28-7-6-26-18-5-4-14(12-25)13-29-18/h1-5,8-11,13H,6-7H2,(H,26,29)(H,28,30)
InChIKeyYGLKRZQNCRKPDJ-UHFFFAOYSA-N
MW423.40 g/mol
LogP4.21
Rot. Bonds6

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

6-[2-[[7-[3-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile (PubChem CID 25061424) has the molecular formula C21H16F3N7 and a molecular weight of 423.40 g/mol. Its IUPAC name is 6-[2-[[7-[3-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-[[7-[3-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile
PubChem CID25061424
Molecular FormulaC21H16F3N7
Molecular Weight423.40 g/mol
Exact Mass423.14
IUPAC Name6-[2-[[7-[3-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCCNc2nc(-c3cccc(C(F)(F)F)c3)cc3nccn23)nc1
InChIInChI=1S/C21H16F3N7/c22-21(23,24)16-3-1-2-15(10-16)17-11-19-27-8-9-31(19)20(30-17)28-7-6-26-18-5-4-14(12-25)13-29-18/h1-5,8-11,13H,6-7H2,(H,26,29)(H,28,30)
InChIKeyYGLKRZQNCRKPDJ-UHFFFAOYSA-N
XLogP4.21
TPSA90.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.40
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[[7-[3-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-[[7-[3-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile (CID 25061424) is 6-[2-[[7-[3-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-[[7-[3-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-[[7-[3-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile is N#Cc1ccc(NCCNc2nc(-c3cccc(C(F)(F)F)c3)cc3nccn23)nc1.
What is the InChIKey of 6-[2-[[7-[3-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile?
The InChIKey is YGLKRZQNCRKPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N7/c22-21(23,24)16-3-1-2-15(10-16)17-11-19-27-8-9-31(19)20(30-17)28-7-6-26-18-5-4-14(12-25)13-29-18/h1-5,8-11,13H,6-7H2,(H,26,29)(H,28,30).
What are the key properties of 6-[2-[[7-[3-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile?
6-[2-[[7-[3-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile has a molecular weight of 423.40 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[7-[3-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-yl]amino]ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 25061424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).