6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

C24H26N6O — CID 44577680

IUPAC6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCN1CCN(CCOc2ccc(-c3cnc4c(-c5ccncc5)cnn4c3)cc2)CC1
InChIInChI=1S/C24H26N6O/c1-28-10-12-29(13-11-28)14-15-31-22-4-2-19(3-5-22)21-16-26-24-23(17-27-30(24)18-21)20-6-8-25-9-7-20/h2-9,16-18H,10-15H2,1H3
InChIKeyWEHOITZZFCCPIS-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.08
Rot. Bonds6

About 6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 44577680) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
PubChem CID44577680
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCN1CCN(CCOc2ccc(-c3cnc4c(-c5ccncc5)cnn4c3)cc2)CC1
InChIInChI=1S/C24H26N6O/c1-28-10-12-29(13-11-28)14-15-31-22-4-2-19(3-5-22)21-16-26-24-23(17-27-30(24)18-21)20-6-8-25-9-7-20/h2-9,16-18H,10-15H2,1H3
InChIKeyWEHOITZZFCCPIS-UHFFFAOYSA-N
XLogP3.08
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

Dorsomorphin
CID 11524144
Azd-5153
CID 118693659
1-Methyl-3-(4-methylpyridin-3-yl)-6-(pyridin-2-ylmethoxy)pyrazolo[3,4-b]pyrazine
CID 72165213
4-[2-[4-(3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 5329447
4-[6-[4-(1-Methylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 50997747
1-(2-{4-[3-(Thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy}ethyl)piperidine
CID 5329450
4-[2-[4-(3-Pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 5329453
1H-Pyrazolo[3,4-d]pyriMidin-4-aMine, 1-[trans-4-(4-Methyl-1-piperazinyl)cyclohexyl]-3-(4-phenoxyphenyl)-
CID 6539953
Methyl substituted pyrazole, 27
CID 23648674
6-(4-Methoxy-phenyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine
CID 5329337
1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
4-(2-{4-[3-(Thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy}ethyl)morpholine
CID 5329446

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (CID 44577680) is 6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is CN1CCN(CCOc2ccc(-c3cnc4c(-c5ccncc5)cnn4c3)cc2)CC1.
What is the InChIKey of 6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is WEHOITZZFCCPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-28-10-12-29(13-11-28)14-15-31-22-4-2-19(3-5-22)21-16-26-24-23(17-27-30(24)18-21)20-6-8-25-9-7-20/h2-9,16-18H,10-15H2,1H3.
What are the key properties of 6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 414.51 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 44577680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).