6-bromo-1H-pyrazolo[4,5-b]pyridine;tert-butyl 6-bromopyrazolo[4,5-b]pyridine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N,N-diethylethanamine;N,N-dimethylpyridin-4-amine

C40H59Br2N9O7 — CID 160771411

About 6-bromo-1H-pyrazolo[4,5-b]pyridine;tert-butyl 6-bromopyrazolo[4,5-b]pyridine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N,N-diethylethanamine;N,N-dimethylpyridin-4-amine

6-bromo-1H-pyrazolo[4,5-b]pyridine;tert-butyl 6-bromopyrazolo[4,5-b]pyridine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N,N-diethylethanamine;N,N-dimethylpyridin-4-amine (PubChem CID 160771411) has the molecular formula C40H59Br2N9O7 and a molecular weight of 937.78 g/mol. Its IUPAC name is 6-bromo-1H-pyrazolo[4,5-b]pyridine;tert-butyl 6-bromopyrazolo[4,5-b]pyridine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N,N-diethylethanamine;N,N-dimethylpyridin-4-amine.

Molecular Properties

• Compound Name: 6-bromo-1H-pyrazolo[4,5-b]pyridine;tert-butyl 6-bromopyrazolo[4,5-b]pyridine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N,N-diethylethanamine;N,N-dimethylpyridin-4-amine
• PubChem CID: 160771411
• Molecular Formula: C40H59Br2N9O7
• Molecular Weight: 937.78 g/mol
• Exact Mass: 935.29
• IUPAC Name: 6-bromo-1H-pyrazolo[4,5-b]pyridine;tert-butyl 6-bromopyrazolo[4,5-b]pyridine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N,N-diethylethanamine;N,N-dimethylpyridin-4-amine
• SMILES: Brc1cnc2cn[nH]c2c1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC(C)(C)OC(=O)n1ncc2ncc(Br)cc21.CCN(CC)CC.CN(C)c1ccncc1
• InChI: InChI=1S/C11H12BrN3O2.C10H18O5.C7H10N2.C6H4BrN3.C6H15N/c1-11(2,3)17-10(16)15-9-4-7(12)5-13-8(9)6-14-15;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-9(2)7-3-5-8-6-4-7;7-4-1-5-6(8-2-4)3-9-10-5;1-4-7(5-2)6-3/h4-6H,1-3H3;1-6H3;3-6H,1-2H3;1-3H,(H,9,10);4-6H2,1-3H3
• InChIKey: RZJDUAMJRWUDPT-UHFFFAOYSA-N
• XLogP: 10.07
• TPSA: 179.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	937.78
LogP ≤ 5	10.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1H-pyrazolo[4,5-b]pyridine;tert-butyl 6-bromopyrazolo[4,5-b]pyridine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N,N-diethylethanamine;N,N-dimethylpyridin-4-amine?

The IUPAC name of 6-bromo-1H-pyrazolo[4,5-b]pyridine;tert-butyl 6-bromopyrazolo[4,5-b]pyridine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N,N-diethylethanamine;N,N-dimethylpyridin-4-amine (CID 160771411) is 6-bromo-1H-pyrazolo[4,5-b]pyridine;tert-butyl 6-bromopyrazolo[4,5-b]pyridine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N,N-diethylethanamine;N,N-dimethylpyridin-4-amine.

What is the SMILES notation for 6-bromo-1H-pyrazolo[4,5-b]pyridine;tert-butyl 6-bromopyrazolo[4,5-b]pyridine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N,N-diethylethanamine;N,N-dimethylpyridin-4-amine?

The canonical SMILES for 6-bromo-1H-pyrazolo[4,5-b]pyridine;tert-butyl 6-bromopyrazolo[4,5-b]pyridine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N,N-diethylethanamine;N,N-dimethylpyridin-4-amine is Brc1cnc2cn[nH]c2c1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC(C)(C)OC(=O)n1ncc2ncc(Br)cc21.CCN(CC)CC.CN(C)c1ccncc1.

What is the InChIKey of 6-bromo-1H-pyrazolo[4,5-b]pyridine;tert-butyl 6-bromopyrazolo[4,5-b]pyridine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N,N-diethylethanamine;N,N-dimethylpyridin-4-amine?

The InChIKey is RZJDUAMJRWUDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2.C10H18O5.C7H10N2.C6H4BrN3.C6H15N/c1-11(2,3)17-10(16)15-9-4-7(12)5-13-8(9)6-14-15;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-9(2)7-3-5-8-6-4-7;7-4-1-5-6(8-2-4)3-9-10-5;1-4-7(5-2)6-3/h4-6H,1-3H3;1-6H3;3-6H,1-2H3;1-3H,(H,9,10);4-6H2,1-3H3.

What are the key properties of 6-bromo-1H-pyrazolo[4,5-b]pyridine;tert-butyl 6-bromopyrazolo[4,5-b]pyridine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N,N-diethylethanamine;N,N-dimethylpyridin-4-amine?

6-bromo-1H-pyrazolo[4,5-b]pyridine;tert-butyl 6-bromopyrazolo[4,5-b]pyridine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N,N-diethylethanamine;N,N-dimethylpyridin-4-amine has a molecular weight of 937.78 g/mol, XLogP of 10.07, 4 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-1H-pyrazolo[4,5-b]pyridine;tert-butyl 6-bromopyrazolo[4,5-b]pyridine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;N,N-diethylethanamine;N,N-dimethylpyridin-4-amine is sourced from PubChem (CID 160771411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).