8-bromo-N-(1-prop-2-ynylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-N-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-chloroprop-1-yne;8-[3-(4-ethylpyrazol-1-yl)-3-(isocyanomethyl)azetidin-1-yl]-N-[1-[[1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C54H55Br2ClN26O — CID 161417928

About 8-bromo-N-(1-prop-2-ynylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-N-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-chloroprop-1-yne;8-[3-(4-ethylpyrazol-1-yl)-3-(isocyanomethyl)azetidin-1-yl]-N-[1-[[1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-bromo-N-(1-prop-2-ynylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-N-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-chloroprop-1-yne;8-[3-(4-ethylpyrazol-1-yl)-3-(isocyanomethyl)azetidin-1-yl]-N-[1-[[1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 161417928) has the molecular formula C54H55Br2ClN26O and a molecular weight of 1279.48 g/mol. Its IUPAC name is 8-bromo-N-(1-prop-2-ynylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-N-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-chloroprop-1-yne;8-[3-(4-ethylpyrazol-1-yl)-3-(isocyanomethyl)azetidin-1-yl]-N-[1-[[1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

• Compound Name: 8-bromo-N-(1-prop-2-ynylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-N-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-chloroprop-1-yne;8-[3-(4-ethylpyrazol-1-yl)-3-(isocyanomethyl)azetidin-1-yl]-N-[1-[[1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• PubChem CID: 161417928
• Molecular Formula: C54H55Br2ClN26O
• Molecular Weight: 1279.48 g/mol
• Exact Mass: 1276.31
• IUPAC Name: 8-bromo-N-(1-prop-2-ynylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-N-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-chloroprop-1-yne;8-[3-(4-ethylpyrazol-1-yl)-3-(isocyanomethyl)azetidin-1-yl]-N-[1-[[1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
• SMILES: Brc1cccn2nc(Nc3cn[nH]c3)nc12.C#CCCl.C#CCn1cc(Nc2nc3c(Br)cccn3n2)cn1.[C-]#[N+]CC1(n2cc(CC)cn2)CN(c2cccn3nc(Nc4cnn(Cc5cn(C6CCN(C7COC7)CC6)nn5)c4)nc23)C1
• InChI: InChI=1S/C30H36N14O.C12H9BrN6.C9H7BrN6.C3H3Cl/c1-3-22-11-33-44(13-22)30(19-31-2)20-40(21-30)27-5-4-8-42-28(27)35-29(37-42)34-23-12-32-41(14-23)15-24-16-43(38-36-24)25-6-9-39(10-7-25)26-17-45-18-26;1-2-5-18-8-9(7-14-18)15-12-16-11-10(13)4-3-6-19(11)17-12;10-7-2-1-3-16-8(7)14-9(15-16)13-6-4-11-12-5-6;1-2-3-4/h4-5,8,11-14,16,25-26H,3,6-7,9-10,15,17-21H2,1H3,(H,34,37);1,3-4,6-8H,5H2,(H,15,17);1-5H,(H,11,12)(H,13,15);1H,3H2
• InChIKey: VWIHOYKRVTUJBI-UHFFFAOYSA-N
• XLogP: 7.12
• TPSA: 259.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 15
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1279.48
LogP ≤ 5	7.12
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-(1-prop-2-ynylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-N-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-chloroprop-1-yne;8-[3-(4-ethylpyrazol-1-yl)-3-(isocyanomethyl)azetidin-1-yl]-N-[1-[[1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The IUPAC name of 8-bromo-N-(1-prop-2-ynylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-N-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-chloroprop-1-yne;8-[3-(4-ethylpyrazol-1-yl)-3-(isocyanomethyl)azetidin-1-yl]-N-[1-[[1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 161417928) is 8-bromo-N-(1-prop-2-ynylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-N-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-chloroprop-1-yne;8-[3-(4-ethylpyrazol-1-yl)-3-(isocyanomethyl)azetidin-1-yl]-N-[1-[[1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

What is the SMILES notation for 8-bromo-N-(1-prop-2-ynylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-N-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-chloroprop-1-yne;8-[3-(4-ethylpyrazol-1-yl)-3-(isocyanomethyl)azetidin-1-yl]-N-[1-[[1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The canonical SMILES for 8-bromo-N-(1-prop-2-ynylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-N-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-chloroprop-1-yne;8-[3-(4-ethylpyrazol-1-yl)-3-(isocyanomethyl)azetidin-1-yl]-N-[1-[[1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Brc1cccn2nc(Nc3cn[nH]c3)nc12.C#CCCl.C#CCn1cc(Nc2nc3c(Br)cccn3n2)cn1.[C-]#[N+]CC1(n2cc(CC)cn2)CN(c2cccn3nc(Nc4cnn(Cc5cn(C6CCN(C7COC7)CC6)nn5)c4)nc23)C1.

What is the InChIKey of 8-bromo-N-(1-prop-2-ynylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-N-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-chloroprop-1-yne;8-[3-(4-ethylpyrazol-1-yl)-3-(isocyanomethyl)azetidin-1-yl]-N-[1-[[1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

The InChIKey is VWIHOYKRVTUJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N14O.C12H9BrN6.C9H7BrN6.C3H3Cl/c1-3-22-11-33-44(13-22)30(19-31-2)20-40(21-30)27-5-4-8-42-28(27)35-29(37-42)34-23-12-32-41(14-23)15-24-16-43(38-36-24)25-6-9-39(10-7-25)26-17-45-18-26;1-2-5-18-8-9(7-14-18)15-12-16-11-10(13)4-3-6-19(11)17-12;10-7-2-1-3-16-8(7)14-9(15-16)13-6-4-11-12-5-6;1-2-3-4/h4-5,8,11-14,16,25-26H,3,6-7,9-10,15,17-21H2,1H3,(H,34,37);1,3-4,6-8H,5H2,(H,15,17);1-5H,(H,11,12)(H,13,15);1H,3H2.

What are the key properties of 8-bromo-N-(1-prop-2-ynylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-N-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-chloroprop-1-yne;8-[3-(4-ethylpyrazol-1-yl)-3-(isocyanomethyl)azetidin-1-yl]-N-[1-[[1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?

8-bromo-N-(1-prop-2-ynylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-N-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-chloroprop-1-yne;8-[3-(4-ethylpyrazol-1-yl)-3-(isocyanomethyl)azetidin-1-yl]-N-[1-[[1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 1279.48 g/mol, XLogP of 7.12, 15 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-N-(1-prop-2-ynylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-bromo-N-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-chloroprop-1-yne;8-[3-(4-ethylpyrazol-1-yl)-3-(isocyanomethyl)azetidin-1-yl]-N-[1-[[1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 161417928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).