5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

C23H27N5O2 — CID 25072002

IUPAC5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccccc1N1CCN(CCCCOc2ccn3ncc(C#N)c3c2)CC1
InChIInChI=1S/C23H27N5O2/c1-29-23-7-3-2-6-21(23)27-13-11-26(12-14-27)9-4-5-15-30-20-8-10-28-22(16-20)19(17-24)18-25-28/h2-3,6-8,10,16,18H,4-5,9,11-15H2,1H3
InChIKeyJMDXHUNKNDOMJU-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.20
Rot. Bonds8

About 5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 25072002) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID25072002
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccccc1N1CCN(CCCCOc2ccn3ncc(C#N)c3c2)CC1
InChIInChI=1S/C23H27N5O2/c1-29-23-7-3-2-6-21(23)27-13-11-26(12-14-27)9-4-5-15-30-20-8-10-28-22(16-20)19(17-24)18-25-28/h2-3,6-8,10,16,18H,4-5,9,11-15H2,1H3
InChIKeyJMDXHUNKNDOMJU-UHFFFAOYSA-N
XLogP3.20
TPSA66.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 25072002) is 5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccccc1N1CCN(CCCCOc2ccn3ncc(C#N)c3c2)CC1.
What is the InChIKey of 5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is JMDXHUNKNDOMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-29-23-7-3-2-6-21(23)27-13-11-26(12-14-27)9-4-5-15-30-20-8-10-28-22(16-20)19(17-24)18-25-28/h2-3,6-8,10,16,18H,4-5,9,11-15H2,1H3.
What are the key properties of 5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 405.50 g/mol, XLogP of 3.20, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 25072002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).