5-chloro-3-(5-iodo-2-pyridinyl)triazolo[4,5-d]pyrimidine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;trans-(1S,3S)-3-aminocyclopentan-1-ol;trans-(1S,3S)-3-[[3-(5-iodo-2-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol;trans-(1S,3S)-3-[[3-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol

C56H65BClI2N25O5 — CID 157429088

About 5-chloro-3-(5-iodo-2-pyridinyl)triazolo[4,5-d]pyrimidine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;trans-(1S,3S)-3-aminocyclopentan-1-ol;trans-(1S,3S)-3-[[3-(5-iodo-2-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol;trans-(1S,3S)-3-[[3-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol

5-chloro-3-(5-iodo-2-pyridinyl)triazolo[4,5-d]pyrimidine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;trans-(1S,3S)-3-aminocyclopentan-1-ol;trans-(1S,3S)-3-[[3-(5-iodo-2-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol;trans-(1S,3S)-3-[[3-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol (PubChem CID 157429088) has the molecular formula C56H65BClI2N25O5 and a molecular weight of 1468.38 g/mol. Its IUPAC name is 5-chloro-3-(5-iodo-2-pyridinyl)triazolo[4,5-d]pyrimidine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;trans-(1S,3S)-3-aminocyclopentan-1-ol;trans-(1S,3S)-3-[[3-(5-iodo-2-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol;trans-(1S,3S)-3-[[3-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol.

Molecular Properties

• Compound Name: 5-chloro-3-(5-iodo-2-pyridinyl)triazolo[4,5-d]pyrimidine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;trans-(1S,3S)-3-aminocyclopentan-1-ol;trans-(1S,3S)-3-[[3-(5-iodo-2-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol;trans-(1S,3S)-3-[[3-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
• PubChem CID: 157429088
• Molecular Formula: C56H65BClI2N25O5
• Molecular Weight: 1468.38 g/mol
• Exact Mass: 1467.35
• IUPAC Name: 5-chloro-3-(5-iodo-2-pyridinyl)triazolo[4,5-d]pyrimidine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;trans-(1S,3S)-3-aminocyclopentan-1-ol;trans-(1S,3S)-3-[[3-(5-iodo-2-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol;trans-(1S,3S)-3-[[3-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
• SMILES: Clc1ncc2nnn(-c3ccc(I)cn3)c2n1.Cn1cc(-c2ccc(-n3nnc4cnc(N[C@H]5CC[C@H](O)C5)nc43)nc2)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.N[C@H]1CC[C@H](O)C1.O[C@H]1CC[C@H](Nc2ncc3nnn(-c4ccc(I)cn4)c3n2)C1
• InChI: InChI=1S/C18H19N9O.C14H14IN7O.C10H17BN2O2.C9H4ClIN6.C5H11NO/c1-26-10-12(8-21-26)11-2-5-16(19-7-11)27-17-15(24-25-27)9-20-18(23-17)22-13-3-4-14(28)6-13;15-8-1-4-12(16-6-8)22-13-11(20-21-22)7-17-14(19-13)18-9-2-3-10(23)5-9;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;10-9-13-4-6-8(14-9)17(16-15-6)7-2-1-5(11)3-12-7;6-4-1-2-5(7)3-4/h2,5,7-10,13-14,28H,3-4,6H2,1H3,(H,20,22,23);1,4,6-7,9-10,23H,2-3,5H2,(H,17,18,19);6-7H,1-5H3;1-4H;4-5,7H,1-3,6H2/t13-,14-;9-,10-;;;4-,5-/m00..0/s1
• InChIKey: BQHUYLVOVCERKC-GCLUPFBYSA-N
• XLogP: 5.31
• TPSA: 373.01 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 9
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1468.38
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(5-iodo-2-pyridinyl)triazolo[4,5-d]pyrimidine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;trans-(1S,3S)-3-aminocyclopentan-1-ol;trans-(1S,3S)-3-[[3-(5-iodo-2-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol;trans-(1S,3S)-3-[[3-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol?

The IUPAC name of 5-chloro-3-(5-iodo-2-pyridinyl)triazolo[4,5-d]pyrimidine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;trans-(1S,3S)-3-aminocyclopentan-1-ol;trans-(1S,3S)-3-[[3-(5-iodo-2-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol;trans-(1S,3S)-3-[[3-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol (CID 157429088) is 5-chloro-3-(5-iodo-2-pyridinyl)triazolo[4,5-d]pyrimidine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;trans-(1S,3S)-3-aminocyclopentan-1-ol;trans-(1S,3S)-3-[[3-(5-iodo-2-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol;trans-(1S,3S)-3-[[3-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol.

What is the SMILES notation for 5-chloro-3-(5-iodo-2-pyridinyl)triazolo[4,5-d]pyrimidine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;trans-(1S,3S)-3-aminocyclopentan-1-ol;trans-(1S,3S)-3-[[3-(5-iodo-2-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol;trans-(1S,3S)-3-[[3-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol?

The canonical SMILES for 5-chloro-3-(5-iodo-2-pyridinyl)triazolo[4,5-d]pyrimidine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;trans-(1S,3S)-3-aminocyclopentan-1-ol;trans-(1S,3S)-3-[[3-(5-iodo-2-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol;trans-(1S,3S)-3-[[3-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol is Clc1ncc2nnn(-c3ccc(I)cn3)c2n1.Cn1cc(-c2ccc(-n3nnc4cnc(N[C@H]5CC[C@H](O)C5)nc43)nc2)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.N[C@H]1CC[C@H](O)C1.O[C@H]1CC[C@H](Nc2ncc3nnn(-c4ccc(I)cn4)c3n2)C1.

What is the InChIKey of 5-chloro-3-(5-iodo-2-pyridinyl)triazolo[4,5-d]pyrimidine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;trans-(1S,3S)-3-aminocyclopentan-1-ol;trans-(1S,3S)-3-[[3-(5-iodo-2-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol;trans-(1S,3S)-3-[[3-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol?

The InChIKey is BQHUYLVOVCERKC-GCLUPFBYSA-N. The full InChI is InChI=1S/C18H19N9O.C14H14IN7O.C10H17BN2O2.C9H4ClIN6.C5H11NO/c1-26-10-12(8-21-26)11-2-5-16(19-7-11)27-17-15(24-25-27)9-20-18(23-17)22-13-3-4-14(28)6-13;15-8-1-4-12(16-6-8)22-13-11(20-21-22)7-17-14(19-13)18-9-2-3-10(23)5-9;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;10-9-13-4-6-8(14-9)17(16-15-6)7-2-1-5(11)3-12-7;6-4-1-2-5(7)3-4/h2,5,7-10,13-14,28H,3-4,6H2,1H3,(H,20,22,23);1,4,6-7,9-10,23H,2-3,5H2,(H,17,18,19);6-7H,1-5H3;1-4H;4-5,7H,1-3,6H2/t13-,14-;9-,10-;;;4-,5-/m00..0/s1.

What are the key properties of 5-chloro-3-(5-iodo-2-pyridinyl)triazolo[4,5-d]pyrimidine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;trans-(1S,3S)-3-aminocyclopentan-1-ol;trans-(1S,3S)-3-[[3-(5-iodo-2-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol;trans-(1S,3S)-3-[[3-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol?

5-chloro-3-(5-iodo-2-pyridinyl)triazolo[4,5-d]pyrimidine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;trans-(1S,3S)-3-aminocyclopentan-1-ol;trans-(1S,3S)-3-[[3-(5-iodo-2-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol;trans-(1S,3S)-3-[[3-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol has a molecular weight of 1468.38 g/mol, XLogP of 5.31, 9 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-3-(5-iodo-2-pyridinyl)triazolo[4,5-d]pyrimidine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;trans-(1S,3S)-3-aminocyclopentan-1-ol;trans-(1S,3S)-3-[[3-(5-iodo-2-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol;trans-(1S,3S)-3-[[3-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol is sourced from PubChem (CID 157429088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).