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

C46H51BrN8O3 — CID 157216994

IUPAC1-[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
SMILESCC(O)c1cccc(-c2cnn3cc(-c4ccc(CCN5CCCC(O)C5)cc4)cnc23)c1.OC1CCCN(CCc2ccc(-c3cnc4c(Br)cnn4c3)cc2)C1
InChIInChI=1S/C27H30N4O2.C19H21BrN4O/c1-19(32)22-4-2-5-23(14-22)26-16-29-31-17-24(15-28-27(26)31)21-9-7-20(8-10-21)11-13-30-12-3-6-25(33)18-30;20-18-11-22-24-12-16(10-21-19(18)24)15-5-3-14(4-6-15)7-9-23-8-1-2-17(25)13-23/h2,4-5,7-10,14-17,19,25,32-33H,3,6,11-13,18H2,1H3;3-6,10-12,17,25H,1-2,7-9,13H2
InChIKeyASNOPWMWLJQXLO-UHFFFAOYSA-N
MW843.87 g/mol
LogP7.27
Rot. Bonds10

About 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

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 (PubChem CID 157216994) has the molecular formula C46H51BrN8O3 and a molecular weight of 843.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID157216994
Molecular FormulaC46H51BrN8O3
Molecular Weight843.87 g/mol
Exact Mass842.33
IUPAC Name1-[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
SMILESCC(O)c1cccc(-c2cnn3cc(-c4ccc(CCN5CCCC(O)C5)cc4)cnc23)c1.OC1CCCN(CCc2ccc(-c3cnc4c(Br)cnn4c3)cc2)C1
InChIInChI=1S/C27H30N4O2.C19H21BrN4O/c1-19(32)22-4-2-5-23(14-22)26-16-29-31-17-24(15-28-27(26)31)21-9-7-20(8-10-21)11-13-30-12-3-6-25(33)18-30;20-18-11-22-24-12-16(10-21-19(18)24)15-5-3-14(4-6-15)7-9-23-8-1-2-17(25)13-23/h2,4-5,7-10,14-17,19,25,32-33H,3,6,11-13,18H2,1H3;3-6,10-12,17,25H,1-2,7-9,13H2
InChIKeyASNOPWMWLJQXLO-UHFFFAOYSA-N
XLogP7.27
TPSA127.55 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500843.87
LogP ≤ 57.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[3-[6-[4-(3-piperidin-1-ylpropyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol
CID 170419534
ethane;1-[3-[6-(4-piperidin-3-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol
CID 145001697
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
1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-3-ol
CID 56701762
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
3-(3-methylsulfinylphenyl)-6-[4-(piperidin-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 167058585
3-(3-methylsulfanylphenyl)-6-(4-propylphenyl)pyrazolo[1,5-a]pyrimidine
CID 166824919
3-[4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]propan-1-ol
CID 58691597
1-(2-pyridin-3-ylethyl)piperidin-3-ol
CID 63262678
3-bromo-6-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 118665090
CID 145001680
CID 145001680
CID 145001795
CID 145001795

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(O)c1cccc(-c2cnn3cc(-c4ccc(CCN5CCCC(O)C5)cc4)cnc23)c1.OC1CCCN(CCc2ccc(-c3cnc4c(Br)cnn4c3)cc2)C1.
What is the InChIKey of 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?
The InChIKey is ASNOPWMWLJQXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2.C19H21BrN4O/c1-19(32)22-4-2-5-23(14-22)26-16-29-31-17-24(15-28-27(26)31)21-9-7-20(8-10-21)11-13-30-12-3-6-25(33)18-30;20-18-11-22-24-12-16(10-21-19(18)24)15-5-3-14(4-6-15)7-9-23-8-1-2-17(25)13-23/h2,4-5,7-10,14-17,19,25,32-33H,3,6,11-13,18H2,1H3;3-6,10-12,17,25H,1-2,7-9,13H2.
What are the key properties of 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?
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 has a molecular weight of 843.87 g/mol, XLogP of 7.27, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157216994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).