2-(6-bromo-5-chloropyrazolo[1,5-a]pyridin-4-yl)acetic acid;methyl 5-amino-6-bromo-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-amino-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-4-(bromomethyl)-5-chloropyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-5-chloro-4-(isocyanomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-5-chloro-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate

C60H49Br6Cl4N15O12 — CID 158812320

About 2-(6-bromo-5-chloropyrazolo[1,5-a]pyridin-4-yl)acetic acid;methyl 5-amino-6-bromo-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-amino-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-4-(bromomethyl)-5-chloropyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-5-chloro-4-(isocyanomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-5-chloro-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate

2-(6-bromo-5-chloropyrazolo[1,5-a]pyridin-4-yl)acetic acid;methyl 5-amino-6-bromo-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-amino-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-4-(bromomethyl)-5-chloropyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-5-chloro-4-(isocyanomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-5-chloro-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 158812320) has the molecular formula C60H49Br6Cl4N15O12 and a molecular weight of 1793.38 g/mol. Its IUPAC name is 2-(6-bromo-5-chloropyrazolo[1,5-a]pyridin-4-yl)acetic acid;methyl 5-amino-6-bromo-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-amino-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-4-(bromomethyl)-5-chloropyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-5-chloro-4-(isocyanomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-5-chloro-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: 2-(6-bromo-5-chloropyrazolo[1,5-a]pyridin-4-yl)acetic acid;methyl 5-amino-6-bromo-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-amino-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-4-(bromomethyl)-5-chloropyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-5-chloro-4-(isocyanomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-5-chloro-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate
• PubChem CID: 158812320
• Molecular Formula: C60H49Br6Cl4N15O12
• Molecular Weight: 1793.38 g/mol
• Exact Mass: 1784.75
• IUPAC Name: 2-(6-bromo-5-chloropyrazolo[1,5-a]pyridin-4-yl)acetic acid;methyl 5-amino-6-bromo-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-amino-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-4-(bromomethyl)-5-chloropyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-5-chloro-4-(isocyanomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-5-chloro-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate
• SMILES: COC(=O)c1cnn2cc(Br)c(Cl)c(C)c12.COC(=O)c1cnn2cc(Br)c(Cl)c(CBr)c12.COC(=O)c1cnn2cc(Br)c(N)c(C)c12.COC(=O)c1cnn2ccc(N)c(C)c12.O=C(O)Cc1c(Cl)c(Br)cn2nccc12.[C-]#[N+]Cc1c(Cl)c(Br)cn2ncc(C(=O)OC)c12
• InChI: InChI=1S/C11H7BrClN3O2.C10H7Br2ClN2O2.C10H8BrClN2O2.C10H10BrN3O2.C10H11N3O2.C9H6BrClN2O2/c1-14-3-6-9(13)8(12)5-16-10(6)7(4-15-16)11(17)18-2;1-17-10(16)6-3-14-15-4-7(12)8(13)5(2-11)9(6)15;2*1-5-8(12)7(11)4-14-9(5)6(3-13-14)10(15)16-2;1-6-8(11)3-4-13-9(6)7(5-12-13)10(14)15-2;10-6-4-13-7(1-2-12-13)5(9(6)11)3-8(14)15/h4-5H,3H2,2H3;3-4H,2H2,1H3;3-4H,1-2H3;3-4H,12H2,1-2H3;3-5H,11H2,1-2H3;1-2,4H,3H2,(H,14,15)
• InChIKey: IUVNFIXERACYJG-UHFFFAOYSA-N
• XLogP: 14.40
• TPSA: 329.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 9
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1793.38
LogP ≤ 5	14.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-5-chloropyrazolo[1,5-a]pyridin-4-yl)acetic acid;methyl 5-amino-6-bromo-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-amino-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-4-(bromomethyl)-5-chloropyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-5-chloro-4-(isocyanomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-5-chloro-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate?

The IUPAC name of 2-(6-bromo-5-chloropyrazolo[1,5-a]pyridin-4-yl)acetic acid;methyl 5-amino-6-bromo-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-amino-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-4-(bromomethyl)-5-chloropyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-5-chloro-4-(isocyanomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-5-chloro-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate (CID 158812320) is 2-(6-bromo-5-chloropyrazolo[1,5-a]pyridin-4-yl)acetic acid;methyl 5-amino-6-bromo-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-amino-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-4-(bromomethyl)-5-chloropyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-5-chloro-4-(isocyanomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-5-chloro-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate.

What is the SMILES notation for 2-(6-bromo-5-chloropyrazolo[1,5-a]pyridin-4-yl)acetic acid;methyl 5-amino-6-bromo-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-amino-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-4-(bromomethyl)-5-chloropyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-5-chloro-4-(isocyanomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-5-chloro-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate?

The canonical SMILES for 2-(6-bromo-5-chloropyrazolo[1,5-a]pyridin-4-yl)acetic acid;methyl 5-amino-6-bromo-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-amino-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-4-(bromomethyl)-5-chloropyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-5-chloro-4-(isocyanomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-5-chloro-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate is COC(=O)c1cnn2cc(Br)c(Cl)c(C)c12.COC(=O)c1cnn2cc(Br)c(Cl)c(CBr)c12.COC(=O)c1cnn2cc(Br)c(N)c(C)c12.COC(=O)c1cnn2ccc(N)c(C)c12.O=C(O)Cc1c(Cl)c(Br)cn2nccc12.[C-]#[N+]Cc1c(Cl)c(Br)cn2ncc(C(=O)OC)c12.

What is the InChIKey of 2-(6-bromo-5-chloropyrazolo[1,5-a]pyridin-4-yl)acetic acid;methyl 5-amino-6-bromo-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-amino-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-4-(bromomethyl)-5-chloropyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-5-chloro-4-(isocyanomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-5-chloro-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate?

The InChIKey is IUVNFIXERACYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClN3O2.C10H7Br2ClN2O2.C10H8BrClN2O2.C10H10BrN3O2.C10H11N3O2.C9H6BrClN2O2/c1-14-3-6-9(13)8(12)5-16-10(6)7(4-15-16)11(17)18-2;1-17-10(16)6-3-14-15-4-7(12)8(13)5(2-11)9(6)15;2*1-5-8(12)7(11)4-14-9(5)6(3-13-14)10(15)16-2;1-6-8(11)3-4-13-9(6)7(5-12-13)10(14)15-2;10-6-4-13-7(1-2-12-13)5(9(6)11)3-8(14)15/h4-5H,3H2,2H3;3-4H,2H2,1H3;3-4H,1-2H3;3-4H,12H2,1-2H3;3-5H,11H2,1-2H3;1-2,4H,3H2,(H,14,15).

What are the key properties of 2-(6-bromo-5-chloropyrazolo[1,5-a]pyridin-4-yl)acetic acid;methyl 5-amino-6-bromo-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-amino-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-4-(bromomethyl)-5-chloropyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-5-chloro-4-(isocyanomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-5-chloro-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate?

2-(6-bromo-5-chloropyrazolo[1,5-a]pyridin-4-yl)acetic acid;methyl 5-amino-6-bromo-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-amino-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-4-(bromomethyl)-5-chloropyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-5-chloro-4-(isocyanomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-5-chloro-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 1793.38 g/mol, XLogP of 14.40, 9 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-bromo-5-chloropyrazolo[1,5-a]pyridin-4-yl)acetic acid;methyl 5-amino-6-bromo-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-amino-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-4-(bromomethyl)-5-chloropyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-5-chloro-4-(isocyanomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-bromo-5-chloro-4-methylpyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 158812320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).