6-(1-methylpyrazol-4-yl)-4-[6-(4-phenoxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C28H25N7O — CID 126752989

IUPAC6-(1-methylpyrazol-4-yl)-4-[6-(4-phenoxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCC(Oc5ccccc5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C28H25N7O/c1-33-18-23(17-31-33)21-13-26(28-22(14-29)16-32-35(28)19-21)20-7-8-27(30-15-20)34-11-9-25(10-12-34)36-24-5-3-2-4-6-24/h2-8,13,15-19,25H,9-12H2,1H3
InChIKeyWRJDZZQUYUHQTP-UHFFFAOYSA-N
MW475.56 g/mol
LogP4.72
Rot. Bonds5

About 6-(1-methylpyrazol-4-yl)-4-[6-(4-phenoxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(1-methylpyrazol-4-yl)-4-[6-(4-phenoxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126752989) has the molecular formula C28H25N7O and a molecular weight of 475.56 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-4-[6-(4-phenoxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-4-[6-(4-phenoxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID126752989
Molecular FormulaC28H25N7O
Molecular Weight475.56 g/mol
Exact Mass475.21
IUPAC Name6-(1-methylpyrazol-4-yl)-4-[6-(4-phenoxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCC(Oc5ccccc5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C28H25N7O/c1-33-18-23(17-31-33)21-13-26(28-22(14-29)16-32-35(28)19-21)20-7-8-27(30-15-20)34-11-9-25(10-12-34)36-24-5-3-2-4-6-24/h2-8,13,15-19,25H,9-12H2,1H3
InChIKeyWRJDZZQUYUHQTP-UHFFFAOYSA-N
XLogP4.72
TPSA84.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.56
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-4-[6-(4-phenoxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-4-[6-(4-phenoxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126752989) is 6-(1-methylpyrazol-4-yl)-4-[6-(4-phenoxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-4-[6-(4-phenoxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-4-[6-(4-phenoxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(N4CCC(Oc5ccccc5)CC4)nc3)c3c(C#N)cnn3c2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-4-[6-(4-phenoxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is WRJDZZQUYUHQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N7O/c1-33-18-23(17-31-33)21-13-26(28-22(14-29)16-32-35(28)19-21)20-7-8-27(30-15-20)34-11-9-25(10-12-34)36-24-5-3-2-4-6-24/h2-8,13,15-19,25H,9-12H2,1H3.
What are the key properties of 6-(1-methylpyrazol-4-yl)-4-[6-(4-phenoxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-(1-methylpyrazol-4-yl)-4-[6-(4-phenoxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 475.56 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-4-[6-(4-phenoxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 126752989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).