3-bromo-7-(4-methoxypiperidin-1-yl)-2-phenylpyrazolo[1,5-c]pyrimidine

C18H19BrN4O — CID 122655925

IUPAC3-bromo-7-(4-methoxypiperidin-1-yl)-2-phenylpyrazolo[1,5-c]pyrimidine
SMILESCOC1CCN(c2nccc3c(Br)c(-c4ccccc4)nn23)CC1
InChIInChI=1S/C18H19BrN4O/c1-24-14-8-11-22(12-9-14)18-20-10-7-15-16(19)17(21-23(15)18)13-5-3-2-4-6-13/h2-7,10,14H,8-9,11-12H2,1H3
InChIKeyDFNVKROOLOFOJU-UHFFFAOYSA-N
MW387.28 g/mol
LogP3.77
Rot. Bonds3

About 3-bromo-7-(4-methoxypiperidin-1-yl)-2-phenylpyrazolo[1,5-c]pyrimidine

3-bromo-7-(4-methoxypiperidin-1-yl)-2-phenylpyrazolo[1,5-c]pyrimidine (PubChem CID 122655925) has the molecular formula C18H19BrN4O and a molecular weight of 387.28 g/mol. Its IUPAC name is 3-bromo-7-(4-methoxypiperidin-1-yl)-2-phenylpyrazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name3-bromo-7-(4-methoxypiperidin-1-yl)-2-phenylpyrazolo[1,5-c]pyrimidine
PubChem CID122655925
Molecular FormulaC18H19BrN4O
Molecular Weight387.28 g/mol
Exact Mass386.07
IUPAC Name3-bromo-7-(4-methoxypiperidin-1-yl)-2-phenylpyrazolo[1,5-c]pyrimidine
SMILESCOC1CCN(c2nccc3c(Br)c(-c4ccccc4)nn23)CC1
InChIInChI=1S/C18H19BrN4O/c1-24-14-8-11-22(12-9-14)18-20-10-7-15-16(19)17(21-23(15)18)13-5-3-2-4-6-13/h2-7,10,14H,8-9,11-12H2,1H3
InChIKeyDFNVKROOLOFOJU-UHFFFAOYSA-N
XLogP3.77
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-(4-methoxypiperidin-1-yl)-2-phenylpyrazolo[1,5-c]pyrimidine?
The IUPAC name of 3-bromo-7-(4-methoxypiperidin-1-yl)-2-phenylpyrazolo[1,5-c]pyrimidine (CID 122655925) is 3-bromo-7-(4-methoxypiperidin-1-yl)-2-phenylpyrazolo[1,5-c]pyrimidine.
What is the SMILES notation for 3-bromo-7-(4-methoxypiperidin-1-yl)-2-phenylpyrazolo[1,5-c]pyrimidine?
The canonical SMILES for 3-bromo-7-(4-methoxypiperidin-1-yl)-2-phenylpyrazolo[1,5-c]pyrimidine is COC1CCN(c2nccc3c(Br)c(-c4ccccc4)nn23)CC1.
What is the InChIKey of 3-bromo-7-(4-methoxypiperidin-1-yl)-2-phenylpyrazolo[1,5-c]pyrimidine?
The InChIKey is DFNVKROOLOFOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O/c1-24-14-8-11-22(12-9-14)18-20-10-7-15-16(19)17(21-23(15)18)13-5-3-2-4-6-13/h2-7,10,14H,8-9,11-12H2,1H3.
What are the key properties of 3-bromo-7-(4-methoxypiperidin-1-yl)-2-phenylpyrazolo[1,5-c]pyrimidine?
3-bromo-7-(4-methoxypiperidin-1-yl)-2-phenylpyrazolo[1,5-c]pyrimidine has a molecular weight of 387.28 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-(4-methoxypiperidin-1-yl)-2-phenylpyrazolo[1,5-c]pyrimidine is sourced from PubChem (CID 122655925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).