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

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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).