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

C29H27N7 — CID 126740494

IUPAC4-[6-(1-benzylpiperidin-3-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(C4CCCN(Cc5ccccc5)C4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C29H27N7/c1-34-18-26(16-32-34)24-12-27(29-25(13-30)15-33-36(29)20-24)22-9-10-28(31-14-22)23-8-5-11-35(19-23)17-21-6-3-2-4-7-21/h2-4,6-7,9-10,12,14-16,18,20,23H,5,8,11,17,19H2,1H3
InChIKeyJBGYXOOOOZMYOO-UHFFFAOYSA-N
MW473.58 g/mol
LogP5.05
Rot. Bonds5

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

4-[6-(1-benzylpiperidin-3-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126740494) has the molecular formula C29H27N7 and a molecular weight of 473.58 g/mol. Its IUPAC name is 4-[6-(1-benzylpiperidin-3-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-(1-benzylpiperidin-3-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID126740494
Molecular FormulaC29H27N7
Molecular Weight473.58 g/mol
Exact Mass473.23
IUPAC Name4-[6-(1-benzylpiperidin-3-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(C4CCCN(Cc5ccccc5)C4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C29H27N7/c1-34-18-26(16-32-34)24-12-27(29-25(13-30)15-33-36(29)20-24)22-9-10-28(31-14-22)23-8-5-11-35(19-23)17-21-6-3-2-4-7-21/h2-4,6-7,9-10,12,14-16,18,20,23H,5,8,11,17,19H2,1H3
InChIKeyJBGYXOOOOZMYOO-UHFFFAOYSA-N
XLogP5.05
TPSA75.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(1-benzylpiperidin-3-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-(1-benzylpiperidin-3-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126740494) is 4-[6-(1-benzylpiperidin-3-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-(1-benzylpiperidin-3-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-(1-benzylpiperidin-3-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(C4CCCN(Cc5ccccc5)C4)nc3)c3c(C#N)cnn3c2)cn1.
What is the InChIKey of 4-[6-(1-benzylpiperidin-3-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is JBGYXOOOOZMYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N7/c1-34-18-26(16-32-34)24-12-27(29-25(13-30)15-33-36(29)20-24)22-9-10-28(31-14-22)23-8-5-11-35(19-23)17-21-6-3-2-4-7-21/h2-4,6-7,9-10,12,14-16,18,20,23H,5,8,11,17,19H2,1H3.
What are the key properties of 4-[6-(1-benzylpiperidin-3-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-(1-benzylpiperidin-3-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 473.58 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1-benzylpiperidin-3-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 126740494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).