4-[5-(N-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol

C22H21N5O2 — CID 91496167

IUPAC4-[5-(N-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol
SMILESOc1ccc(-c2cnn3ccc(N(c4ccccc4)N4CCOCC4)nc23)cc1
InChIInChI=1S/C22H21N5O2/c28-19-8-6-17(7-9-19)20-16-23-26-11-10-21(24-22(20)26)27(18-4-2-1-3-5-18)25-12-14-29-15-13-25/h1-11,16,28H,12-15H2
InChIKeyGPVIKQBDNJPLHX-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.49
Rot. Bonds4

About 4-[5-(N-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol

4-[5-(N-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol (PubChem CID 91496167) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-[5-(N-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol.

Molecular Properties

Compound Name4-[5-(N-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol
PubChem CID91496167
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name4-[5-(N-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol
SMILESOc1ccc(-c2cnn3ccc(N(c4ccccc4)N4CCOCC4)nc23)cc1
InChIInChI=1S/C22H21N5O2/c28-19-8-6-17(7-9-19)20-16-23-26-11-10-21(24-22(20)26)27(18-4-2-1-3-5-18)25-12-14-29-15-13-25/h1-11,16,28H,12-15H2
InChIKeyGPVIKQBDNJPLHX-UHFFFAOYSA-N
XLogP3.49
TPSA66.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(N-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol?
The IUPAC name of 4-[5-(N-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol (CID 91496167) is 4-[5-(N-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol.
What is the SMILES notation for 4-[5-(N-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol?
The canonical SMILES for 4-[5-(N-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol is Oc1ccc(-c2cnn3ccc(N(c4ccccc4)N4CCOCC4)nc23)cc1.
What is the InChIKey of 4-[5-(N-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol?
The InChIKey is GPVIKQBDNJPLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c28-19-8-6-17(7-9-19)20-16-23-26-11-10-21(24-22(20)26)27(18-4-2-1-3-5-18)25-12-14-29-15-13-25/h1-11,16,28H,12-15H2.
What are the key properties of 4-[5-(N-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol?
4-[5-(N-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol has a molecular weight of 387.44 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(N-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol is sourced from PubChem (CID 91496167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).