3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenol

C17H19N5O — CID 53326008

IUPAC3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenol
SMILESNc1cc(C2CCCNC2)nc2c(-c3cccc(O)c3)cnn12
InChIInChI=1S/C17H19N5O/c18-16-8-15(12-4-2-6-19-9-12)21-17-14(10-20-22(16)17)11-3-1-5-13(23)7-11/h1,3,5,7-8,10,12,19,23H,2,4,6,9,18H2
InChIKeyRWSPFDBBGIBPIF-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.15
Rot. Bonds2

About 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenol

3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenol (PubChem CID 53326008) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenol.

Molecular Properties

Compound Name3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenol
PubChem CID53326008
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenol
SMILESNc1cc(C2CCCNC2)nc2c(-c3cccc(O)c3)cnn12
InChIInChI=1S/C17H19N5O/c18-16-8-15(12-4-2-6-19-9-12)21-17-14(10-20-22(16)17)11-3-1-5-13(23)7-11/h1,3,5,7-8,10,12,19,23H,2,4,6,9,18H2
InChIKeyRWSPFDBBGIBPIF-UHFFFAOYSA-N
XLogP2.15
TPSA88.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-Azanyl-1-propan-2-YL-pyrazolo(3,4-D)pyrimidin-3-YL)phenol
CID 24905143
5-(7-(8-Azabicyclo[3.2.1]octan-3-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-2-chlorophenol
CID 44225813
3-(3-Hydroxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 44226447
(S)-2-(3-(3-hydroxy-5-methylphenyl)-4-(6-(2-hydroxypropylamino)-2-(pyridin-3-yl)pyrimidin-4-yl)-1H-pyrazol-1-yl)acetonitrile
CID 44517769
3-(7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880075
3-(7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880076
3-[7-[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-fluorophenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 46880102
5-[7-[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol
CID 46880104
3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880136
4-[3-(3-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329465
4-{2-[(6-Methyl[1,2,4]triazolo[4,3-B]pyridazin-8-Yl)amino]ethyl}phenol
CID 86276157
4-[6-Hydroxy-3-(4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-2(1H)-ylidene]cyclohexa-2,5-dien-1-one
CID 135678114

Frequently Asked Questions

What is the IUPAC name of 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenol?
The IUPAC name of 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenol (CID 53326008) is 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenol.
What is the SMILES notation for 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenol?
The canonical SMILES for 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenol is Nc1cc(C2CCCNC2)nc2c(-c3cccc(O)c3)cnn12.
What is the InChIKey of 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenol?
The InChIKey is RWSPFDBBGIBPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c18-16-8-15(12-4-2-6-19-9-12)21-17-14(10-20-22(16)17)11-3-1-5-13(23)7-11/h1,3,5,7-8,10,12,19,23H,2,4,6,9,18H2.
What are the key properties of 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenol?
3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenol has a molecular weight of 309.37 g/mol, XLogP of 2.15, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenol is sourced from PubChem (CID 53326008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).