5-bromo-3-(pyrazolo[1,5-a]pyridin-5-ylmethyl)triazolo[4,5-b]pyrazine;5-[(5-bromotriazolo[4,5-b]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde;5-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde;[5-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol

C71H64Br2N32O7 — CID 157328949

About 5-bromo-3-(pyrazolo[1,5-a]pyridin-5-ylmethyl)triazolo[4,5-b]pyrazine;5-[(5-bromotriazolo[4,5-b]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde;5-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde;[5-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol

5-bromo-3-(pyrazolo[1,5-a]pyridin-5-ylmethyl)triazolo[4,5-b]pyrazine;5-[(5-bromotriazolo[4,5-b]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde;5-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde;[5-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol (PubChem CID 157328949) has the molecular formula C71H64Br2N32O7 and a molecular weight of 1637.32 g/mol. Its IUPAC name is 5-bromo-3-(pyrazolo[1,5-a]pyridin-5-ylmethyl)triazolo[4,5-b]pyrazine;5-[(5-bromotriazolo[4,5-b]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde;5-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde;[5-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol.

Molecular Properties

• Compound Name: 5-bromo-3-(pyrazolo[1,5-a]pyridin-5-ylmethyl)triazolo[4,5-b]pyrazine;5-[(5-bromotriazolo[4,5-b]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde;5-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde;[5-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol
• PubChem CID: 157328949
• Molecular Formula: C71H64Br2N32O7
• Molecular Weight: 1637.32 g/mol
• Exact Mass: 1634.40
• IUPAC Name: 5-bromo-3-(pyrazolo[1,5-a]pyridin-5-ylmethyl)triazolo[4,5-b]pyrazine;5-[(5-bromotriazolo[4,5-b]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde;5-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde;[5-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol
• SMILES: Brc1cnc2nnn(Cc3ccn4nccc4c3)c2n1.O=Cc1cnn2ccc(Cn3nnc4ncc(-c5cnn(CCOC6CCCCO6)c5)nc43)cc12.O=Cc1cnn2ccc(Cn3nnc4ncc(Br)nc43)cc12.OCc1cnn2ccc(Cn3nnc4ncc(-c5cnn(CCOC6CCCCO6)c5)nc43)cc12
• InChI: InChI=1S/C23H25N9O3.C23H23N9O3.C13H8BrN7O.C12H8BrN7/c2*33-15-18-11-26-31-5-4-16(9-20(18)31)13-32-23-22(28-29-32)24-12-19(27-23)17-10-25-30(14-17)6-8-35-21-3-1-2-7-34-21;14-11-5-15-12-13(17-11)21(19-18-12)6-8-1-2-20-10(3-8)9(7-22)4-16-20;13-10-6-14-11-12(16-10)20(18-17-11)7-8-2-4-19-9(5-8)1-3-15-19/h4-5,9-12,14,21,33H,1-3,6-8,13,15H2;4-5,9-12,14-15,21H,1-3,6-8,13H2;1-5,7H,6H2;1-6H,7H2
• InChIKey: BFBFLQSWULWTTF-UHFFFAOYSA-N
• XLogP: 7.12
• TPSA: 422.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 39
• Rotatable Bonds: 21
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1637.32
LogP ≤ 5	7.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(pyrazolo[1,5-a]pyridin-5-ylmethyl)triazolo[4,5-b]pyrazine;5-[(5-bromotriazolo[4,5-b]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde;5-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde;[5-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol?

The IUPAC name of 5-bromo-3-(pyrazolo[1,5-a]pyridin-5-ylmethyl)triazolo[4,5-b]pyrazine;5-[(5-bromotriazolo[4,5-b]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde;5-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde;[5-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol (CID 157328949) is 5-bromo-3-(pyrazolo[1,5-a]pyridin-5-ylmethyl)triazolo[4,5-b]pyrazine;5-[(5-bromotriazolo[4,5-b]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde;5-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde;[5-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol.

What is the SMILES notation for 5-bromo-3-(pyrazolo[1,5-a]pyridin-5-ylmethyl)triazolo[4,5-b]pyrazine;5-[(5-bromotriazolo[4,5-b]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde;5-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde;[5-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol?

The canonical SMILES for 5-bromo-3-(pyrazolo[1,5-a]pyridin-5-ylmethyl)triazolo[4,5-b]pyrazine;5-[(5-bromotriazolo[4,5-b]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde;5-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde;[5-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol is Brc1cnc2nnn(Cc3ccn4nccc4c3)c2n1.O=Cc1cnn2ccc(Cn3nnc4ncc(-c5cnn(CCOC6CCCCO6)c5)nc43)cc12.O=Cc1cnn2ccc(Cn3nnc4ncc(Br)nc43)cc12.OCc1cnn2ccc(Cn3nnc4ncc(-c5cnn(CCOC6CCCCO6)c5)nc43)cc12.

What is the InChIKey of 5-bromo-3-(pyrazolo[1,5-a]pyridin-5-ylmethyl)triazolo[4,5-b]pyrazine;5-[(5-bromotriazolo[4,5-b]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde;5-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde;[5-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol?

The InChIKey is BFBFLQSWULWTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N9O3.C23H23N9O3.C13H8BrN7O.C12H8BrN7/c2*33-15-18-11-26-31-5-4-16(9-20(18)31)13-32-23-22(28-29-32)24-12-19(27-23)17-10-25-30(14-17)6-8-35-21-3-1-2-7-34-21;14-11-5-15-12-13(17-11)21(19-18-12)6-8-1-2-20-10(3-8)9(7-22)4-16-20;13-10-6-14-11-12(16-10)20(18-17-11)7-8-2-4-19-9(5-8)1-3-15-19/h4-5,9-12,14,21,33H,1-3,6-8,13,15H2;4-5,9-12,14-15,21H,1-3,6-8,13H2;1-5,7H,6H2;1-6H,7H2.

What are the key properties of 5-bromo-3-(pyrazolo[1,5-a]pyridin-5-ylmethyl)triazolo[4,5-b]pyrazine;5-[(5-bromotriazolo[4,5-b]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde;5-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde;[5-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol?

5-bromo-3-(pyrazolo[1,5-a]pyridin-5-ylmethyl)triazolo[4,5-b]pyrazine;5-[(5-bromotriazolo[4,5-b]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde;5-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde;[5-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol has a molecular weight of 1637.32 g/mol, XLogP of 7.12, 21 rotatable bonds, 1 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3-(pyrazolo[1,5-a]pyridin-5-ylmethyl)triazolo[4,5-b]pyrazine;5-[(5-bromotriazolo[4,5-b]pyrazin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde;5-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridine-3-carbaldehyde;[5-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol is sourced from PubChem (CID 157328949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).