7-(2-piperidin-4-yliminopropanehydrazonoyl)-5-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile

C24H25F3N8O — CID 164921466

IUPAC7-(2-piperidin-4-yliminopropanehydrazonoyl)-5-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCC(=N\C1CCNCC1)/C(=N\N)c1cc(OC(C)c2cncc(C(F)(F)F)c2)n2c(C#N)cnc2c1
InChIInChI=1S/C24H25F3N8O/c1-14(33-19-3-5-30-6-4-19)23(34-29)16-8-21-32-13-20(10-28)35(21)22(9-16)36-15(2)17-7-18(12-31-11-17)24(25,26)27/h7-9,11-13,15,19,30H,3-6,29H2,1-2H3/b33-14+,34-23+
InChIKeyLOYBWKBRYSRAOB-XGHJSISSSA-N
MW498.51 g/mol
LogP3.64
Rot. Bonds6

About 7-(2-piperidin-4-yliminopropanehydrazonoyl)-5-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile

7-(2-piperidin-4-yliminopropanehydrazonoyl)-5-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 164921466) has the molecular formula C24H25F3N8O and a molecular weight of 498.51 g/mol. Its IUPAC name is 7-(2-piperidin-4-yliminopropanehydrazonoyl)-5-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name7-(2-piperidin-4-yliminopropanehydrazonoyl)-5-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID164921466
Molecular FormulaC24H25F3N8O
Molecular Weight498.51 g/mol
Exact Mass498.21
IUPAC Name7-(2-piperidin-4-yliminopropanehydrazonoyl)-5-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCC(=N\C1CCNCC1)/C(=N\N)c1cc(OC(C)c2cncc(C(F)(F)F)c2)n2c(C#N)cnc2c1
InChIInChI=1S/C24H25F3N8O/c1-14(33-19-3-5-30-6-4-19)23(34-29)16-8-21-32-13-20(10-28)35(21)22(9-16)36-15(2)17-7-18(12-31-11-17)24(25,26)27/h7-9,11-13,15,19,30H,3-6,29H2,1-2H3/b33-14+,34-23+
InChIKeyLOYBWKBRYSRAOB-XGHJSISSSA-N
XLogP3.64
TPSA125.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.51
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2-piperidin-4-yliminopropanehydrazonoyl)-5-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 7-(2-piperidin-4-yliminopropanehydrazonoyl)-5-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile (CID 164921466) is 7-(2-piperidin-4-yliminopropanehydrazonoyl)-5-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 7-(2-piperidin-4-yliminopropanehydrazonoyl)-5-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 7-(2-piperidin-4-yliminopropanehydrazonoyl)-5-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile is CC(=N\C1CCNCC1)/C(=N\N)c1cc(OC(C)c2cncc(C(F)(F)F)c2)n2c(C#N)cnc2c1.
What is the InChIKey of 7-(2-piperidin-4-yliminopropanehydrazonoyl)-5-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is LOYBWKBRYSRAOB-XGHJSISSSA-N. The full InChI is InChI=1S/C24H25F3N8O/c1-14(33-19-3-5-30-6-4-19)23(34-29)16-8-21-32-13-20(10-28)35(21)22(9-16)36-15(2)17-7-18(12-31-11-17)24(25,26)27/h7-9,11-13,15,19,30H,3-6,29H2,1-2H3/b33-14+,34-23+.
What are the key properties of 7-(2-piperidin-4-yliminopropanehydrazonoyl)-5-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile?
7-(2-piperidin-4-yliminopropanehydrazonoyl)-5-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 498.51 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-piperidin-4-yliminopropanehydrazonoyl)-5-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164921466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).