6-bromopyrazolo[1,5-a]pyridine-3-carboxylic acid;methyl 5-[(6-bromopyrazolo[1,5-a]pyridine-3-carbonyl)amino]-6-methylpyridine-3-carboxylate

C24H18Br2N6O5 — CID 71283274

IUPAC6-bromopyrazolo[1,5-a]pyridine-3-carboxylic acid;methyl 5-[(6-bromopyrazolo[1,5-a]pyridine-3-carbonyl)amino]-6-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cnc(C)c(NC(=O)c2cnn3cc(Br)ccc23)c1.O=C(O)c1cnn2cc(Br)ccc12
InChIInChI=1S/C16H13BrN4O3.C8H5BrN2O2/c1-9-13(5-10(6-18-9)16(23)24-2)20-15(22)12-7-19-21-8-11(17)3-4-14(12)21;9-5-1-2-7-6(8(12)13)3-10-11(7)4-5/h3-8H,1-2H3,(H,20,22);1-4H,(H,12,13)
InChIKeyCTIHTJRESRKBAB-UHFFFAOYSA-N
MW630.25 g/mol
LogP4.63
Rot. Bonds4

About 6-bromopyrazolo[1,5-a]pyridine-3-carboxylic acid;methyl 5-[(6-bromopyrazolo[1,5-a]pyridine-3-carbonyl)amino]-6-methylpyridine-3-carboxylate

6-bromopyrazolo[1,5-a]pyridine-3-carboxylic acid;methyl 5-[(6-bromopyrazolo[1,5-a]pyridine-3-carbonyl)amino]-6-methylpyridine-3-carboxylate (PubChem CID 71283274) has the molecular formula C24H18Br2N6O5 and a molecular weight of 630.25 g/mol. Its IUPAC name is 6-bromopyrazolo[1,5-a]pyridine-3-carboxylic acid;methyl 5-[(6-bromopyrazolo[1,5-a]pyridine-3-carbonyl)amino]-6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Name6-bromopyrazolo[1,5-a]pyridine-3-carboxylic acid;methyl 5-[(6-bromopyrazolo[1,5-a]pyridine-3-carbonyl)amino]-6-methylpyridine-3-carboxylate
PubChem CID71283274
Molecular FormulaC24H18Br2N6O5
Molecular Weight630.25 g/mol
Exact Mass627.97
IUPAC Name6-bromopyrazolo[1,5-a]pyridine-3-carboxylic acid;methyl 5-[(6-bromopyrazolo[1,5-a]pyridine-3-carbonyl)amino]-6-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cnc(C)c(NC(=O)c2cnn3cc(Br)ccc23)c1.O=C(O)c1cnn2cc(Br)ccc12
InChIInChI=1S/C16H13BrN4O3.C8H5BrN2O2/c1-9-13(5-10(6-18-9)16(23)24-2)20-15(22)12-7-19-21-8-11(17)3-4-14(12)21;9-5-1-2-7-6(8(12)13)3-10-11(7)4-5/h3-8H,1-2H3,(H,20,22);1-4H,(H,12,13)
InChIKeyCTIHTJRESRKBAB-UHFFFAOYSA-N
XLogP4.63
TPSA140.19 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500630.25
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-bromopyrazolo[1,5-a]pyridine-3-carboxylic acid;methyl 5-[(6-bromopyrazolo[1,5-a]pyridine-3-carbonyl)amino]-6-methylpyridine-3-carboxylate 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 6-bromopyrazolo[1,5-a]pyridine-3-carboxylic acid;methyl 5-[(6-bromopyrazolo[1,5-a]pyridine-3-carbonyl)amino]-6-methylpyridine-3-carboxylate?
The IUPAC name of 6-bromopyrazolo[1,5-a]pyridine-3-carboxylic acid;methyl 5-[(6-bromopyrazolo[1,5-a]pyridine-3-carbonyl)amino]-6-methylpyridine-3-carboxylate (CID 71283274) is 6-bromopyrazolo[1,5-a]pyridine-3-carboxylic acid;methyl 5-[(6-bromopyrazolo[1,5-a]pyridine-3-carbonyl)amino]-6-methylpyridine-3-carboxylate.
What is the SMILES notation for 6-bromopyrazolo[1,5-a]pyridine-3-carboxylic acid;methyl 5-[(6-bromopyrazolo[1,5-a]pyridine-3-carbonyl)amino]-6-methylpyridine-3-carboxylate?
The canonical SMILES for 6-bromopyrazolo[1,5-a]pyridine-3-carboxylic acid;methyl 5-[(6-bromopyrazolo[1,5-a]pyridine-3-carbonyl)amino]-6-methylpyridine-3-carboxylate is COC(=O)c1cnc(C)c(NC(=O)c2cnn3cc(Br)ccc23)c1.O=C(O)c1cnn2cc(Br)ccc12.
What is the InChIKey of 6-bromopyrazolo[1,5-a]pyridine-3-carboxylic acid;methyl 5-[(6-bromopyrazolo[1,5-a]pyridine-3-carbonyl)amino]-6-methylpyridine-3-carboxylate?
The InChIKey is CTIHTJRESRKBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O3.C8H5BrN2O2/c1-9-13(5-10(6-18-9)16(23)24-2)20-15(22)12-7-19-21-8-11(17)3-4-14(12)21;9-5-1-2-7-6(8(12)13)3-10-11(7)4-5/h3-8H,1-2H3,(H,20,22);1-4H,(H,12,13).
What are the key properties of 6-bromopyrazolo[1,5-a]pyridine-3-carboxylic acid;methyl 5-[(6-bromopyrazolo[1,5-a]pyridine-3-carbonyl)amino]-6-methylpyridine-3-carboxylate?
6-bromopyrazolo[1,5-a]pyridine-3-carboxylic acid;methyl 5-[(6-bromopyrazolo[1,5-a]pyridine-3-carbonyl)amino]-6-methylpyridine-3-carboxylate has a molecular weight of 630.25 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromopyrazolo[1,5-a]pyridine-3-carboxylic acid;methyl 5-[(6-bromopyrazolo[1,5-a]pyridine-3-carbonyl)amino]-6-methylpyridine-3-carboxylate is sourced from PubChem (CID 71283274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).