6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-8-ium

C24H26N5O+ — CID 42601400

IUPAC6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-8-ium
SMILESc1cc(-c2c[nH][n+]3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)ccn1
InChIInChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2/p+1
InChIKeyXHBVYDAKJHETMP-UHFFFAOYSA-O
MW400.51 g/mol
LogP3.74
Rot. Bonds6

About 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-8-ium

6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-8-ium (PubChem CID 42601400) has the molecular formula C24H26N5O+ and a molecular weight of 400.51 g/mol. Its IUPAC name is 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-8-ium.

Molecular Properties

Compound Name6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-8-ium
PubChem CID42601400
Molecular FormulaC24H26N5O+
Molecular Weight400.51 g/mol
Exact Mass400.21
IUPAC Name6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-8-ium
SMILESc1cc(-c2c[nH][n+]3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)ccn1
InChIInChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2/p+1
InChIKeyXHBVYDAKJHETMP-UHFFFAOYSA-O
XLogP3.74
TPSA58.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-8-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
lithium 1-[2-(phenoxy)ethyl]piperidine
CID 57351466
2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine
CID 91805558
1-[2-(4-ethylphenoxy)ethyl]piperidine
CID 867198
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
2-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]-5-(2-pyrrolidin-1-ylethoxy)pyridine
CID 59835871
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
[4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride
CID 78358370
3-[2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 174231173
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633
[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 10751471

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-8-ium?
The IUPAC name of 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-8-ium (CID 42601400) is 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-8-ium.
What is the SMILES notation for 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-8-ium?
The canonical SMILES for 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-8-ium is c1cc(-c2c[nH][n+]3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)ccn1.
What is the InChIKey of 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-8-ium?
The InChIKey is XHBVYDAKJHETMP-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2/p+1.
What are the key properties of 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-8-ium?
6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-8-ium has a molecular weight of 400.51 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-8-ium is sourced from PubChem (CID 42601400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).