5-[6-(4-benzyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile

C29H27N7O — CID 149125509

IUPAC5-[6-(4-benzyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCC(O)(Cc5ccccc5)CC4)nc3)n3c(C#N)cnc3c2)cn1
InChIInChI=1S/C29H27N7O/c1-34-20-24(18-33-34)23-13-26(36-25(16-30)19-32-28(36)14-23)22-7-8-27(31-17-22)35-11-9-29(37,10-12-35)15-21-5-3-2-4-6-21/h2-8,13-14,17-20,37H,9-12,15H2,1H3
InChIKeyRAVAPTNAXDKZJI-UHFFFAOYSA-N
MW489.58 g/mol
LogP4.24
Rot. Bonds5

About 5-[6-(4-benzyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile

5-[6-(4-benzyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 149125509) has the molecular formula C29H27N7O and a molecular weight of 489.58 g/mol. Its IUPAC name is 5-[6-(4-benzyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[6-(4-benzyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID149125509
Molecular FormulaC29H27N7O
Molecular Weight489.58 g/mol
Exact Mass489.23
IUPAC Name5-[6-(4-benzyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCC(O)(Cc5ccccc5)CC4)nc3)n3c(C#N)cnc3c2)cn1
InChIInChI=1S/C29H27N7O/c1-34-20-24(18-33-34)23-13-26(36-25(16-30)19-32-28(36)14-23)22-7-8-27(31-17-22)35-11-9-29(37,10-12-35)15-21-5-3-2-4-6-21/h2-8,13-14,17-20,37H,9-12,15H2,1H3
InChIKeyRAVAPTNAXDKZJI-UHFFFAOYSA-N
XLogP4.24
TPSA95.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(4-benzyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 5-[6-(4-benzyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile (CID 149125509) is 5-[6-(4-benzyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[6-(4-benzyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 5-[6-(4-benzyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(N4CCC(O)(Cc5ccccc5)CC4)nc3)n3c(C#N)cnc3c2)cn1.
What is the InChIKey of 5-[6-(4-benzyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is RAVAPTNAXDKZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N7O/c1-34-20-24(18-33-34)23-13-26(36-25(16-30)19-32-28(36)14-23)22-7-8-27(31-17-22)35-11-9-29(37,10-12-35)15-21-5-3-2-4-6-21/h2-8,13-14,17-20,37H,9-12,15H2,1H3.
What are the key properties of 5-[6-(4-benzyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile?
5-[6-(4-benzyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 489.58 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4-benzyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 149125509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).