2-(4-bromophenyl)-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide

C25H18BrN5O — CID 58970137

IUPAC2-(4-bromophenyl)-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1cccc(-c2ccnc3cc(-c4ccncc4)nn23)c1
InChIInChI=1S/C25H18BrN5O/c26-20-6-4-17(5-7-20)14-25(32)29-21-3-1-2-19(15-21)23-10-13-28-24-16-22(30-31(23)24)18-8-11-27-12-9-18/h1-13,15-16H,14H2,(H,29,32)
InChIKeyIBNFKYARDGOHBU-UHFFFAOYSA-N
MW484.36 g/mol
LogP5.40
Rot. Bonds5

About 2-(4-bromophenyl)-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide

2-(4-bromophenyl)-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide (PubChem CID 58970137) has the molecular formula C25H18BrN5O and a molecular weight of 484.36 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide
PubChem CID58970137
Molecular FormulaC25H18BrN5O
Molecular Weight484.36 g/mol
Exact Mass483.07
IUPAC Name2-(4-bromophenyl)-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1cccc(-c2ccnc3cc(-c4ccncc4)nn23)c1
InChIInChI=1S/C25H18BrN5O/c26-20-6-4-17(5-7-20)14-25(32)29-21-3-1-2-19(15-21)23-10-13-28-24-16-22(30-31(23)24)18-8-11-27-12-9-18/h1-13,15-16H,14H2,(H,29,32)
InChIKeyIBNFKYARDGOHBU-UHFFFAOYSA-N
XLogP5.40
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.36
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide (CID 58970137) is 2-(4-bromophenyl)-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide is O=C(Cc1ccc(Br)cc1)Nc1cccc(-c2ccnc3cc(-c4ccncc4)nn23)c1.
What is the InChIKey of 2-(4-bromophenyl)-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide?
The InChIKey is IBNFKYARDGOHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18BrN5O/c26-20-6-4-17(5-7-20)14-25(32)29-21-3-1-2-19(15-21)23-10-13-28-24-16-22(30-31(23)24)18-8-11-27-12-9-18/h1-13,15-16H,14H2,(H,29,32).
What are the key properties of 2-(4-bromophenyl)-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide?
2-(4-bromophenyl)-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide has a molecular weight of 484.36 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide is sourced from PubChem (CID 58970137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).