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

C27H28N6O3 — CID 155296295

IUPAC7-(2-hydroxy-2-methylpropoxy)-5-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCC(C)(O)COc1cc(-c2ccc(N3CCC(Oc4ccccn4)CC3)nc2)n2c(C#N)cnc2c1
InChIInChI=1S/C27H28N6O3/c1-27(2,34)18-35-22-13-23(33-20(15-28)17-31-25(33)14-22)19-6-7-24(30-16-19)32-11-8-21(9-12-32)36-26-5-3-4-10-29-26/h3-7,10,13-14,16-17,21,34H,8-9,11-12,18H2,1-2H3
InChIKeyNDXKAYRPCOQONT-UHFFFAOYSA-N
MW484.56 g/mol
LogP3.86
Rot. Bonds7

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

7-(2-hydroxy-2-methylpropoxy)-5-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 155296295) has the molecular formula C27H28N6O3 and a molecular weight of 484.56 g/mol. Its IUPAC name is 7-(2-hydroxy-2-methylpropoxy)-5-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name7-(2-hydroxy-2-methylpropoxy)-5-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID155296295
Molecular FormulaC27H28N6O3
Molecular Weight484.56 g/mol
Exact Mass484.22
IUPAC Name7-(2-hydroxy-2-methylpropoxy)-5-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCC(C)(O)COc1cc(-c2ccc(N3CCC(Oc4ccccn4)CC3)nc2)n2c(C#N)cnc2c1
InChIInChI=1S/C27H28N6O3/c1-27(2,34)18-35-22-13-23(33-20(15-28)17-31-25(33)14-22)19-6-7-24(30-16-19)32-11-8-21(9-12-32)36-26-5-3-4-10-29-26/h3-7,10,13-14,16-17,21,34H,8-9,11-12,18H2,1-2H3
InChIKeyNDXKAYRPCOQONT-UHFFFAOYSA-N
XLogP3.86
TPSA108.80 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxy-2-methylpropoxy)-5-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 7-(2-hydroxy-2-methylpropoxy)-5-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile (CID 155296295) is 7-(2-hydroxy-2-methylpropoxy)-5-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 7-(2-hydroxy-2-methylpropoxy)-5-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 7-(2-hydroxy-2-methylpropoxy)-5-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile is CC(C)(O)COc1cc(-c2ccc(N3CCC(Oc4ccccn4)CC3)nc2)n2c(C#N)cnc2c1.
What is the InChIKey of 7-(2-hydroxy-2-methylpropoxy)-5-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is NDXKAYRPCOQONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O3/c1-27(2,34)18-35-22-13-23(33-20(15-28)17-31-25(33)14-22)19-6-7-24(30-16-19)32-11-8-21(9-12-32)36-26-5-3-4-10-29-26/h3-7,10,13-14,16-17,21,34H,8-9,11-12,18H2,1-2H3.
What are the key properties of 7-(2-hydroxy-2-methylpropoxy)-5-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile?
7-(2-hydroxy-2-methylpropoxy)-5-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 484.56 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxy-2-methylpropoxy)-5-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 155296295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).