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

C29H32N6O4 — CID 158723274

IUPAC5-[6-[4-hydroxy-4-[(6-methoxy-3-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CC2(O)CCN(c3ccc(-c4cc(OCC(C)(C)O)cc5ncc(C#N)n45)cn3)CC2)cn1
InChIInChI=1S/C29H32N6O4/c1-28(2,36)19-39-23-12-24(35-22(15-30)18-32-26(35)13-23)21-5-6-25(31-17-21)34-10-8-29(37,9-11-34)14-20-4-7-27(38-3)33-16-20/h4-7,12-13,16-18,36-37H,8-11,14,19H2,1-3H3
InChIKeyIKEJGPSAQICUOT-UHFFFAOYSA-N
MW528.61 g/mol
LogP3.40
Rot. Bonds8

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

5-[6-[4-hydroxy-4-[(6-methoxy-3-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 158723274) has the molecular formula C29H32N6O4 and a molecular weight of 528.61 g/mol. Its IUPAC name is 5-[6-[4-hydroxy-4-[(6-methoxy-3-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[6-[4-hydroxy-4-[(6-methoxy-3-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID158723274
Molecular FormulaC29H32N6O4
Molecular Weight528.61 g/mol
Exact Mass528.25
IUPAC Name5-[6-[4-hydroxy-4-[(6-methoxy-3-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CC2(O)CCN(c3ccc(-c4cc(OCC(C)(C)O)cc5ncc(C#N)n45)cn3)CC2)cn1
InChIInChI=1S/C29H32N6O4/c1-28(2,36)19-39-23-12-24(35-22(15-30)18-32-26(35)13-23)21-5-6-25(31-17-21)34-10-8-29(37,9-11-34)14-20-4-7-27(38-3)33-16-20/h4-7,12-13,16-18,36-37H,8-11,14,19H2,1-3H3
InChIKeyIKEJGPSAQICUOT-UHFFFAOYSA-N
XLogP3.40
TPSA129.03 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.61
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[6-[4-hydroxy-4-[(6-methoxy-3-pyridinyl)methyl]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-hydroxy-4-[(6-methoxy-3-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 5-[6-[4-hydroxy-4-[(6-methoxy-3-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile (CID 158723274) is 5-[6-[4-hydroxy-4-[(6-methoxy-3-pyridinyl)methyl]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-hydroxy-4-[(6-methoxy-3-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 5-[6-[4-hydroxy-4-[(6-methoxy-3-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile is COc1ccc(CC2(O)CCN(c3ccc(-c4cc(OCC(C)(C)O)cc5ncc(C#N)n45)cn3)CC2)cn1.
What is the InChIKey of 5-[6-[4-hydroxy-4-[(6-methoxy-3-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is IKEJGPSAQICUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O4/c1-28(2,36)19-39-23-12-24(35-22(15-30)18-32-26(35)13-23)21-5-6-25(31-17-21)34-10-8-29(37,9-11-34)14-20-4-7-27(38-3)33-16-20/h4-7,12-13,16-18,36-37H,8-11,14,19H2,1-3H3.
What are the key properties of 5-[6-[4-hydroxy-4-[(6-methoxy-3-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile?
5-[6-[4-hydroxy-4-[(6-methoxy-3-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 528.61 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-hydroxy-4-[(6-methoxy-3-pyridinyl)methyl]piperidin-1-yl]-3-pyridinyl]-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 158723274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).