5-[6-[4-[[6-(difluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile

C28H28F2N6O3 — CID 158398282

IUPAC5-[6-[4-[[6-(difluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCC(C)(O)COc1cc(-c2ccc(N3CCC(Oc4ccc(C(F)F)nc4)CC3)nc2)n2c(C#N)cnc2c1
InChIInChI=1S/C28H28F2N6O3/c1-28(2,37)17-38-22-11-24(36-19(13-31)15-34-26(36)12-22)18-3-6-25(33-14-18)35-9-7-20(8-10-35)39-21-4-5-23(27(29)30)32-16-21/h3-6,11-12,14-16,20,27,37H,7-10,17H2,1-2H3
InChIKeyGXUCYRNNQRHHFC-UHFFFAOYSA-N
MW534.57 g/mol
LogP4.80
Rot. Bonds8

About 5-[6-[4-[[6-(difluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile

5-[6-[4-[[6-(difluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 158398282) has the molecular formula C28H28F2N6O3 and a molecular weight of 534.57 g/mol. Its IUPAC name is 5-[6-[4-[[6-(difluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[6-[4-[[6-(difluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID158398282
Molecular FormulaC28H28F2N6O3
Molecular Weight534.57 g/mol
Exact Mass534.22
IUPAC Name5-[6-[4-[[6-(difluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCC(C)(O)COc1cc(-c2ccc(N3CCC(Oc4ccc(C(F)F)nc4)CC3)nc2)n2c(C#N)cnc2c1
InChIInChI=1S/C28H28F2N6O3/c1-28(2,37)17-38-22-11-24(36-19(13-31)15-34-26(36)12-22)18-3-6-25(33-14-18)35-9-7-20(8-10-35)39-21-4-5-23(27(29)30)32-16-21/h3-6,11-12,14-16,20,27,37H,7-10,17H2,1-2H3
InChIKeyGXUCYRNNQRHHFC-UHFFFAOYSA-N
XLogP4.80
TPSA108.80 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.57
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[6-[4-[[6-(difluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-[[6-(difluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 5-[6-[4-[[6-(difluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile (CID 158398282) is 5-[6-[4-[[6-(difluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[6-[4-[[6-(difluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 5-[6-[4-[[6-(difluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile is CC(C)(O)COc1cc(-c2ccc(N3CCC(Oc4ccc(C(F)F)nc4)CC3)nc2)n2c(C#N)cnc2c1.
What is the InChIKey of 5-[6-[4-[[6-(difluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is GXUCYRNNQRHHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F2N6O3/c1-28(2,37)17-38-22-11-24(36-19(13-31)15-34-26(36)12-22)18-3-6-25(33-14-18)35-9-7-20(8-10-35)39-21-4-5-23(27(29)30)32-16-21/h3-6,11-12,14-16,20,27,37H,7-10,17H2,1-2H3.
What are the key properties of 5-[6-[4-[[6-(difluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile?
5-[6-[4-[[6-(difluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 534.57 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-[[6-(difluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 158398282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).