4-[2-[4-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]ethyl]morpholine

C21H22N6O2 — CID 52945752

IUPAC4-[2-[4-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]ethyl]morpholine
SMILESc1cc(-c2cnc3c(-c4cn[nH]c4)cnn3c2)ccc1OCCN1CCOCC1
InChIInChI=1S/C21H22N6O2/c1-3-19(29-10-7-26-5-8-28-9-6-26)4-2-16(1)18-11-22-21-20(14-25-27(21)15-18)17-12-23-24-13-17/h1-4,11-15H,5-10H2,(H,23,24)
InChIKeyJRKYKAKARRYSSS-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.50
Rot. Bonds6

About 4-[2-[4-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]ethyl]morpholine

4-[2-[4-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]ethyl]morpholine (PubChem CID 52945752) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 4-[2-[4-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]ethyl]morpholine
PubChem CID52945752
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name4-[2-[4-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]ethyl]morpholine
SMILESc1cc(-c2cnc3c(-c4cn[nH]c4)cnn3c2)ccc1OCCN1CCOCC1
InChIInChI=1S/C21H22N6O2/c1-3-19(29-10-7-26-5-8-28-9-6-26)4-2-16(1)18-11-22-21-20(14-25-27(21)15-18)17-12-23-24-13-17/h1-4,11-15H,5-10H2,(H,23,24)
InChIKeyJRKYKAKARRYSSS-UHFFFAOYSA-N
XLogP2.50
TPSA80.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]ethyl]morpholine (CID 52945752) is 4-[2-[4-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]ethyl]morpholine is c1cc(-c2cnc3c(-c4cn[nH]c4)cnn3c2)ccc1OCCN1CCOCC1.
What is the InChIKey of 4-[2-[4-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]ethyl]morpholine?
The InChIKey is JRKYKAKARRYSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-3-19(29-10-7-26-5-8-28-9-6-26)4-2-16(1)18-11-22-21-20(14-25-27(21)15-18)17-12-23-24-13-17/h1-4,11-15H,5-10H2,(H,23,24).
What are the key properties of 4-[2-[4-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]ethyl]morpholine?
4-[2-[4-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]ethyl]morpholine has a molecular weight of 390.45 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenoxy]ethyl]morpholine is sourced from PubChem (CID 52945752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).