4-bromo-3-methyl-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]cyclohexa-1,3-diene-1-carboxamide

C25H20BrN5O — CID 143544079

IUPAC4-bromo-3-methyl-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]cyclohexa-1,3-diene-1-carboxamide
SMILESCC1=C(Br)CCC(C(=O)Nc2cccc(-c3ccnc4cc(-c5ccncc5)nn34)c2)=C1
InChIInChI=1S/C25H20BrN5O/c1-16-13-19(5-6-21(16)26)25(32)29-20-4-2-3-18(14-20)23-9-12-28-24-15-22(30-31(23)24)17-7-10-27-11-8-17/h2-4,7-15H,5-6H2,1H3,(H,29,32)
InChIKeyAAVMJIWOEUMRHX-UHFFFAOYSA-N
MW486.37 g/mol
LogP5.79
Rot. Bonds4

About 4-bromo-3-methyl-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]cyclohexa-1,3-diene-1-carboxamide

4-bromo-3-methyl-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]cyclohexa-1,3-diene-1-carboxamide (PubChem CID 143544079) has the molecular formula C25H20BrN5O and a molecular weight of 486.37 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name4-bromo-3-methyl-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]cyclohexa-1,3-diene-1-carboxamide
PubChem CID143544079
Molecular FormulaC25H20BrN5O
Molecular Weight486.37 g/mol
Exact Mass485.09
IUPAC Name4-bromo-3-methyl-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]cyclohexa-1,3-diene-1-carboxamide
SMILESCC1=C(Br)CCC(C(=O)Nc2cccc(-c3ccnc4cc(-c5ccncc5)nn34)c2)=C1
InChIInChI=1S/C25H20BrN5O/c1-16-13-19(5-6-21(16)26)25(32)29-20-4-2-3-18(14-20)23-9-12-28-24-15-22(30-31(23)24)17-7-10-27-11-8-17/h2-4,7-15H,5-6H2,1H3,(H,29,32)
InChIKeyAAVMJIWOEUMRHX-UHFFFAOYSA-N
XLogP5.79
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.37
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-bromo-3-methyl-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]cyclohexa-1,3-diene-1-carboxamide 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

3-cyano-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide
CID 58970133
1-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 46883714
N-[3-[2-(3-methylimidazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 46883539
7-(6-bromo-3-pyridinyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 86638649
2-cyano-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide
CID 168523396
7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine
CID 3955995
4-bromo-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 16873318
N-(3-methylphenyl)-1-[4-[5-[(3-methylphenyl)carbamoyl]-3-pyridin-4-ylpyrazol-1-yl]butyl]-3-pyridin-4-ylpyrazole-5-carboxamide
CID 175497589
7-[3-(1,2,2-tricyanoethenylamino)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 168609279
2,2-dimethyl-N-[4-(7-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-2-pyridinyl]propanamide
CID 141184049
7-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 58970141
2-chloro-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide
CID 16873284

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]cyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 4-bromo-3-methyl-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]cyclohexa-1,3-diene-1-carboxamide (CID 143544079) is 4-bromo-3-methyl-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]cyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 4-bromo-3-methyl-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]cyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 4-bromo-3-methyl-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]cyclohexa-1,3-diene-1-carboxamide is CC1=C(Br)CCC(C(=O)Nc2cccc(-c3ccnc4cc(-c5ccncc5)nn34)c2)=C1.
What is the InChIKey of 4-bromo-3-methyl-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]cyclohexa-1,3-diene-1-carboxamide?
The InChIKey is AAVMJIWOEUMRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrN5O/c1-16-13-19(5-6-21(16)26)25(32)29-20-4-2-3-18(14-20)23-9-12-28-24-15-22(30-31(23)24)17-7-10-27-11-8-17/h2-4,7-15H,5-6H2,1H3,(H,29,32).
What are the key properties of 4-bromo-3-methyl-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]cyclohexa-1,3-diene-1-carboxamide?
4-bromo-3-methyl-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 486.37 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 143544079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).