3-bromo-N-(4-chlorophenyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;N-(4-chlorophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid

C46H40BBrCl2N8O6 — CID 157172900

IUPAC3-bromo-N-(4-chlorophenyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;N-(4-chlorophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid
SMILESCN(C(=O)c1ccn2ncc(Br)c2c1)c1ccc(Cl)cc1.CNC(=O)c1ccc(-c2cnn3ccc(C(=O)N(C)c4ccc(Cl)cc4)cc23)cc1.CNC(=O)c1ccc(B(O)O)cc1
InChIInChI=1S/C23H19ClN4O2.C15H11BrClN3O.C8H10BNO3/c1-25-22(29)16-5-3-15(4-6-16)20-14-26-28-12-11-17(13-21(20)28)23(30)27(2)19-9-7-18(24)8-10-19;1-19(12-4-2-11(17)3-5-12)15(21)10-6-7-20-14(8-10)13(16)9-18-20;1-10-8(11)6-2-4-7(5-3-6)9(12)13/h3-14H,1-2H3,(H,25,29);2-9H,1H3;2-5,12-13H,1H3,(H,10,11)
InChIKeyANRGLVPRENEUDU-UHFFFAOYSA-N
MW962.50 g/mol
LogP7.04
Rot. Bonds8

About 3-bromo-N-(4-chlorophenyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;N-(4-chlorophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid

3-bromo-N-(4-chlorophenyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;N-(4-chlorophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid (PubChem CID 157172900) has the molecular formula C46H40BBrCl2N8O6 and a molecular weight of 962.50 g/mol. Its IUPAC name is 3-bromo-N-(4-chlorophenyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;N-(4-chlorophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid.

Molecular Properties

Compound Name3-bromo-N-(4-chlorophenyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;N-(4-chlorophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid
PubChem CID157172900
Molecular FormulaC46H40BBrCl2N8O6
Molecular Weight962.50 g/mol
Exact Mass960.17
IUPAC Name3-bromo-N-(4-chlorophenyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;N-(4-chlorophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid
SMILESCN(C(=O)c1ccn2ncc(Br)c2c1)c1ccc(Cl)cc1.CNC(=O)c1ccc(-c2cnn3ccc(C(=O)N(C)c4ccc(Cl)cc4)cc23)cc1.CNC(=O)c1ccc(B(O)O)cc1
InChIInChI=1S/C23H19ClN4O2.C15H11BrClN3O.C8H10BNO3/c1-25-22(29)16-5-3-15(4-6-16)20-14-26-28-12-11-17(13-21(20)28)23(30)27(2)19-9-7-18(24)8-10-19;1-19(12-4-2-11(17)3-5-12)15(21)10-6-7-20-14(8-10)13(16)9-18-20;1-10-8(11)6-2-4-7(5-3-6)9(12)13/h3-14H,1-2H3,(H,25,29);2-9H,1H3;2-5,12-13H,1H3,(H,10,11)
InChIKeyANRGLVPRENEUDU-UHFFFAOYSA-N
XLogP7.04
TPSA173.88 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500962.50
LogP ≤ 57.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-bromo-N-(4-chlorophenyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;N-(4-chlorophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-chlorophenyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;N-(4-chlorophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid?
The IUPAC name of 3-bromo-N-(4-chlorophenyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;N-(4-chlorophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid (CID 157172900) is 3-bromo-N-(4-chlorophenyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;N-(4-chlorophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid.
What is the SMILES notation for 3-bromo-N-(4-chlorophenyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;N-(4-chlorophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid?
The canonical SMILES for 3-bromo-N-(4-chlorophenyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;N-(4-chlorophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid is CN(C(=O)c1ccn2ncc(Br)c2c1)c1ccc(Cl)cc1.CNC(=O)c1ccc(-c2cnn3ccc(C(=O)N(C)c4ccc(Cl)cc4)cc23)cc1.CNC(=O)c1ccc(B(O)O)cc1.
What is the InChIKey of 3-bromo-N-(4-chlorophenyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;N-(4-chlorophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid?
The InChIKey is ANRGLVPRENEUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O2.C15H11BrClN3O.C8H10BNO3/c1-25-22(29)16-5-3-15(4-6-16)20-14-26-28-12-11-17(13-21(20)28)23(30)27(2)19-9-7-18(24)8-10-19;1-19(12-4-2-11(17)3-5-12)15(21)10-6-7-20-14(8-10)13(16)9-18-20;1-10-8(11)6-2-4-7(5-3-6)9(12)13/h3-14H,1-2H3,(H,25,29);2-9H,1H3;2-5,12-13H,1H3,(H,10,11).
What are the key properties of 3-bromo-N-(4-chlorophenyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;N-(4-chlorophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid?
3-bromo-N-(4-chlorophenyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;N-(4-chlorophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid has a molecular weight of 962.50 g/mol, XLogP of 7.04, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-chlorophenyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;N-(4-chlorophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid is sourced from PubChem (CID 157172900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).