4-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-6-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile

C24H22N6O — CID 134436288

IUPAC4-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-6-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(O)cc(-c3ccc(N4CCN(Cc5ccccc5)CC4)nc3)c12
InChIInChI=1S/C24H22N6O/c25-13-20-15-27-30-17-21(31)12-22(24(20)30)19-6-7-23(26-14-19)29-10-8-28(9-11-29)16-18-4-2-1-3-5-18/h1-7,12,14-15,17,31H,8-11,16H2
InChIKeySRGMVFSMQLLMSX-UHFFFAOYSA-N
MW410.48 g/mol
LogP3.30
Rot. Bonds4

About 4-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-6-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-6-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134436288) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is 4-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-6-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-6-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134436288
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Name4-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-6-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(O)cc(-c3ccc(N4CCN(Cc5ccccc5)CC4)nc3)c12
InChIInChI=1S/C24H22N6O/c25-13-20-15-27-30-17-21(31)12-22(24(20)30)19-6-7-23(26-14-19)29-10-8-28(9-11-29)16-18-4-2-1-3-5-18/h1-7,12,14-15,17,31H,8-11,16H2
InChIKeySRGMVFSMQLLMSX-UHFFFAOYSA-N
XLogP3.30
TPSA80.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-6-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-6-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134436288) is 4-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-6-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-6-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-6-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1cnn2cc(O)cc(-c3ccc(N4CCN(Cc5ccccc5)CC4)nc3)c12.
What is the InChIKey of 4-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-6-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is SRGMVFSMQLLMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c25-13-20-15-27-30-17-21(31)12-22(24(20)30)19-6-7-23(26-14-19)29-10-8-28(9-11-29)16-18-4-2-1-3-5-18/h1-7,12,14-15,17,31H,8-11,16H2.
What are the key properties of 4-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-6-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-6-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 410.48 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-6-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134436288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).