3-bromo-6-(3-chloro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine

C17H16BrClN4 — CID 118894241

IUPAC3-bromo-6-(3-chloro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESClc1cc(-c2cnc3c(Br)cnn3c2)ccc1N1CCCCC1
InChIInChI=1S/C17H16BrClN4/c18-14-10-21-23-11-13(9-20-17(14)23)12-4-5-16(15(19)8-12)22-6-2-1-3-7-22/h4-5,8-11H,1-3,6-7H2
InChIKeyMGTAMDMETRDVCT-UHFFFAOYSA-N
MW391.70 g/mol
LogP4.80
Rot. Bonds2

About 3-bromo-6-(3-chloro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine

3-bromo-6-(3-chloro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 118894241) has the molecular formula C17H16BrClN4 and a molecular weight of 391.70 g/mol. Its IUPAC name is 3-bromo-6-(3-chloro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-6-(3-chloro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID118894241
Molecular FormulaC17H16BrClN4
Molecular Weight391.70 g/mol
Exact Mass390.02
IUPAC Name3-bromo-6-(3-chloro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESClc1cc(-c2cnc3c(Br)cnn3c2)ccc1N1CCCCC1
InChIInChI=1S/C17H16BrClN4/c18-14-10-21-23-11-13(9-20-17(14)23)12-4-5-16(15(19)8-12)22-6-2-1-3-7-22/h4-5,8-11H,1-3,6-7H2
InChIKeyMGTAMDMETRDVCT-UHFFFAOYSA-N
XLogP4.80
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.70
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(3-chloro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-6-(3-chloro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine (CID 118894241) is 3-bromo-6-(3-chloro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-6-(3-chloro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-6-(3-chloro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine is Clc1cc(-c2cnc3c(Br)cnn3c2)ccc1N1CCCCC1.
What is the InChIKey of 3-bromo-6-(3-chloro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is MGTAMDMETRDVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN4/c18-14-10-21-23-11-13(9-20-17(14)23)12-4-5-16(15(19)8-12)22-6-2-1-3-7-22/h4-5,8-11H,1-3,6-7H2.
What are the key properties of 3-bromo-6-(3-chloro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine?
3-bromo-6-(3-chloro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 391.70 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(3-chloro-4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 118894241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).