2-(5-chloro-3-pyridinyl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;7-iodo-2-[2-(4-isocyanophenyl)acetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C64H66BCl2I3N18O8 — CID 158286814

About 2-(5-chloro-3-pyridinyl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;7-iodo-2-[2-(4-isocyanophenyl)acetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

2-(5-chloro-3-pyridinyl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;7-iodo-2-[2-(4-isocyanophenyl)acetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 158286814) has the molecular formula C64H66BCl2I3N18O8 and a molecular weight of 1677.78 g/mol. Its IUPAC name is 2-(5-chloro-3-pyridinyl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;7-iodo-2-[2-(4-isocyanophenyl)acetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(5-chloro-3-pyridinyl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;7-iodo-2-[2-(4-isocyanophenyl)acetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 158286814
• Molecular Formula: C64H66BCl2I3N18O8
• Molecular Weight: 1677.78 g/mol
• Exact Mass: 1676.19
• IUPAC Name: 2-(5-chloro-3-pyridinyl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;7-iodo-2-[2-(4-isocyanophenyl)acetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: CC1(C)OB(c2cncc(Cl)c2)OC1(C)C.NC(=O)c1c(I)nn2c1CCCC2.NC(=O)c1c(I)nn2c1CNCC2.[C-]#[N+]c1ccc(CC(=O)N2CCn3cc(I)c(C(N)=O)c3C2)cc1.[C-]#[N+]c1ccc(CC(=O)N2CCn3nc(-c4cncc(Cl)c4)c(C(N)=O)c3C2)cc1
• InChI: InChI=1S/C21H17ClN6O2.C17H15IN4O2.C11H15BClNO2.C8H10IN3O.C7H9IN4O/c1-24-16-4-2-13(3-5-16)8-18(29)27-6-7-28-17(12-27)19(21(23)30)20(26-28)14-9-15(22)11-25-10-14;1-20-12-4-2-11(3-5-12)8-15(23)22-7-6-21-9-13(18)16(17(19)24)14(21)10-22;1-10(2)11(3,4)16-12(15-10)8-5-9(13)7-14-6-8;9-7-6(8(10)13)5-3-1-2-4-12(5)11-7;8-6-5(7(9)13)4-3-10-1-2-12(4)11-6/h2-5,9-11H,6-8,12H2,(H2,23,30);2-5,9H,6-8,10H2,(H2,19,24);5-7H,1-4H3;1-4H2,(H2,10,13);10H,1-3H2,(H2,9,13)
• InChIKey: GKWMMYHQCWILFU-UHFFFAOYSA-N
• XLogP: 7.81
• TPSA: 336.36 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1677.78
LogP ≤ 5	7.81
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-pyridinyl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;7-iodo-2-[2-(4-isocyanophenyl)acetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 2-(5-chloro-3-pyridinyl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;7-iodo-2-[2-(4-isocyanophenyl)acetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 158286814) is 2-(5-chloro-3-pyridinyl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;7-iodo-2-[2-(4-isocyanophenyl)acetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 2-(5-chloro-3-pyridinyl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;7-iodo-2-[2-(4-isocyanophenyl)acetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 2-(5-chloro-3-pyridinyl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;7-iodo-2-[2-(4-isocyanophenyl)acetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is CC1(C)OB(c2cncc(Cl)c2)OC1(C)C.NC(=O)c1c(I)nn2c1CCCC2.NC(=O)c1c(I)nn2c1CNCC2.[C-]#[N+]c1ccc(CC(=O)N2CCn3cc(I)c(C(N)=O)c3C2)cc1.[C-]#[N+]c1ccc(CC(=O)N2CCn3nc(-c4cncc(Cl)c4)c(C(N)=O)c3C2)cc1.

What is the InChIKey of 2-(5-chloro-3-pyridinyl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;7-iodo-2-[2-(4-isocyanophenyl)acetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is GKWMMYHQCWILFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN6O2.C17H15IN4O2.C11H15BClNO2.C8H10IN3O.C7H9IN4O/c1-24-16-4-2-13(3-5-16)8-18(29)27-6-7-28-17(12-27)19(21(23)30)20(26-28)14-9-15(22)11-25-10-14;1-20-12-4-2-11(3-5-12)8-15(23)22-7-6-21-9-13(18)16(17(19)24)14(21)10-22;1-10(2)11(3,4)16-12(15-10)8-5-9(13)7-14-6-8;9-7-6(8(10)13)5-3-1-2-4-12(5)11-7;8-6-5(7(9)13)4-3-10-1-2-12(4)11-6/h2-5,9-11H,6-8,12H2,(H2,23,30);2-5,9H,6-8,10H2,(H2,19,24);5-7H,1-4H3;1-4H2,(H2,10,13);10H,1-3H2,(H2,9,13).

What are the key properties of 2-(5-chloro-3-pyridinyl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;7-iodo-2-[2-(4-isocyanophenyl)acetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

2-(5-chloro-3-pyridinyl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;7-iodo-2-[2-(4-isocyanophenyl)acetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 1677.78 g/mol, XLogP of 7.81, 10 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-chloro-3-pyridinyl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;7-iodo-2-[2-(4-isocyanophenyl)acetyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 158286814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).