(1R)-1-[3-[6-[4-(3-piperidin-1-ylpropyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol

C28H32N4O — CID 170419534

IUPAC(1R)-1-[3-[6-[4-(3-piperidin-1-ylpropyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol
SMILESC[C@@H](O)c1cccc(-c2cnn3cc(-c4ccc(CCCN5CCCCC5)cc4)cnc23)c1
InChIInChI=1S/C28H32N4O/c1-21(33)24-8-5-9-25(17-24)27-19-30-32-20-26(18-29-28(27)32)23-12-10-22(11-13-23)7-6-16-31-14-3-2-4-15-31/h5,8-13,17-21,33H,2-4,6-7,14-16H2,1H3/t21-/m1/s1
InChIKeyYXTRFBVRFFICDD-OAQYLSRUSA-N
MW440.59 g/mol
LogP5.54
Rot. Bonds7

About (1R)-1-[3-[6-[4-(3-piperidin-1-ylpropyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol

(1R)-1-[3-[6-[4-(3-piperidin-1-ylpropyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol (PubChem CID 170419534) has the molecular formula C28H32N4O and a molecular weight of 440.59 g/mol. Its IUPAC name is (1R)-1-[3-[6-[4-(3-piperidin-1-ylpropyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-[6-[4-(3-piperidin-1-ylpropyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol
PubChem CID170419534
Molecular FormulaC28H32N4O
Molecular Weight440.59 g/mol
Exact Mass440.26
IUPAC Name(1R)-1-[3-[6-[4-(3-piperidin-1-ylpropyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol
SMILESC[C@@H](O)c1cccc(-c2cnn3cc(-c4ccc(CCCN5CCCCC5)cc4)cnc23)c1
InChIInChI=1S/C28H32N4O/c1-21(33)24-8-5-9-25(17-24)27-19-30-32-20-26(18-29-28(27)32)23-12-10-22(11-13-23)7-6-16-31-14-3-2-4-15-31/h5,8-13,17-21,33H,2-4,6-7,14-16H2,1H3/t21-/m1/s1
InChIKeyYXTRFBVRFFICDD-OAQYLSRUSA-N
XLogP5.54
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-1-[3-[6-[4-(3-piperidin-1-ylpropyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol with MolForge

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Related Compounds

1-[2-[4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenyl]ethyl]piperidin-3-ol;1-[2-[4-[3-[3-(1-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]ethyl]piperidin-3-ol
CID 157216994
6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-[3-(1,1,1-trifluoro-3-methylbutan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 157036593
1-[3-[6-[4-(1-aminoethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol;methane;1-[3-[6-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol
CID 158866611
3-(4-ethylsulfanylnaphthalen-1-yl)-6-[4-(3-pyrrolidin-1-ylpropyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 167059580
3-bromo-6-[4-(2-piperidin-1-ylethyl)phenyl]pyrazolo[1,5-a]pyrimidine;3-phenyl-6-[4-(2-piperidin-1-ylethyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 158044709
3-(3-methylsulfinylphenyl)-6-[4-(piperidin-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 167058585
ethane;1-[3-[6-(4-piperidin-3-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol
CID 145001697
3-[4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]propan-1-ol
CID 58691597
4-[[3-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methyl]morpholine
CID 59495030
azane;2-methyl-5-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 161049684
3-(3-methylsulfanylphenyl)-6-(4-propylphenyl)pyrazolo[1,5-a]pyrimidine
CID 166824919
3-phenyl-6-[1-(3-piperidin-1-ylpropyl)-2H-pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidine
CID 70120771

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[6-[4-(3-piperidin-1-ylpropyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol?
The IUPAC name of (1R)-1-[3-[6-[4-(3-piperidin-1-ylpropyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol (CID 170419534) is (1R)-1-[3-[6-[4-(3-piperidin-1-ylpropyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-[6-[4-(3-piperidin-1-ylpropyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-[6-[4-(3-piperidin-1-ylpropyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol is C[C@@H](O)c1cccc(-c2cnn3cc(-c4ccc(CCCN5CCCCC5)cc4)cnc23)c1.
What is the InChIKey of (1R)-1-[3-[6-[4-(3-piperidin-1-ylpropyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol?
The InChIKey is YXTRFBVRFFICDD-OAQYLSRUSA-N. The full InChI is InChI=1S/C28H32N4O/c1-21(33)24-8-5-9-25(17-24)27-19-30-32-20-26(18-29-28(27)32)23-12-10-22(11-13-23)7-6-16-31-14-3-2-4-15-31/h5,8-13,17-21,33H,2-4,6-7,14-16H2,1H3/t21-/m1/s1.
What are the key properties of (1R)-1-[3-[6-[4-(3-piperidin-1-ylpropyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol?
(1R)-1-[3-[6-[4-(3-piperidin-1-ylpropyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol has a molecular weight of 440.59 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[6-[4-(3-piperidin-1-ylpropyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol is sourced from PubChem (CID 170419534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).