4-(1-tert-butylpyrazol-4-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;1-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methyl 4-(1-tert-butylpyrazol-4-yl)-5-methylpyridine-2-carboxylate;methyl 4-chloro-5-methylpyridine-2-carboxylate

C59H77BClN15O7 — CID 160781183

About 4-(1-tert-butylpyrazol-4-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;1-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methyl 4-(1-tert-butylpyrazol-4-yl)-5-methylpyridine-2-carboxylate;methyl 4-chloro-5-methylpyridine-2-carboxylate

4-(1-tert-butylpyrazol-4-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;1-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methyl 4-(1-tert-butylpyrazol-4-yl)-5-methylpyridine-2-carboxylate;methyl 4-chloro-5-methylpyridine-2-carboxylate (PubChem CID 160781183) has the molecular formula C59H77BClN15O7 and a molecular weight of 1154.63 g/mol. Its IUPAC name is 4-(1-tert-butylpyrazol-4-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;1-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methyl 4-(1-tert-butylpyrazol-4-yl)-5-methylpyridine-2-carboxylate;methyl 4-chloro-5-methylpyridine-2-carboxylate.

Molecular Properties

• Compound Name: 4-(1-tert-butylpyrazol-4-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;1-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methyl 4-(1-tert-butylpyrazol-4-yl)-5-methylpyridine-2-carboxylate;methyl 4-chloro-5-methylpyridine-2-carboxylate
• PubChem CID: 160781183
• Molecular Formula: C59H77BClN15O7
• Molecular Weight: 1154.63 g/mol
• Exact Mass: 1153.59
• IUPAC Name: 4-(1-tert-butylpyrazol-4-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;1-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methyl 4-(1-tert-butylpyrazol-4-yl)-5-methylpyridine-2-carboxylate;methyl 4-chloro-5-methylpyridine-2-carboxylate
• SMILES: CC(C)(C)n1cc(B2OC(C)(C)C(C)(C)O2)cn1.COC(=O)c1cc(-c2cnn(C(C)(C)C)c2)c(C)cn1.COC(=O)c1cc(Cl)c(C)cn1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1cnn(C(C)(C)C)c1
• InChI: InChI=1S/C23H27N9O.C15H19N3O2.C13H23BN2O2.C8H8ClNO2/c1-14(2)32-21(28-29-30-32)18-8-7-9-20(26-18)27-22(33)19-10-17(15(3)11-24-19)16-12-25-31(13-16)23(4,5)6;1-10-7-16-13(14(19)20-5)6-12(10)11-8-17-18(9-11)15(2,3)4;1-11(2,3)16-9-10(8-15-16)14-17-12(4,5)13(6,7)18-14;1-5-4-10-7(3-6(5)9)8(11)12-2/h7-14H,1-6H3,(H,26,27,33);6-9H,1-5H3;8-9H,1-7H3;3-4H,1-2H3
• InChIKey: SAPCNXJSYCNSHI-UHFFFAOYSA-N
• XLogP: 10.45
• TPSA: 248.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 9
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1154.63
LogP ≤ 5	10.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(1-tert-butylpyrazol-4-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;1-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methyl 4-(1-tert-butylpyrazol-4-yl)-5-methylpyridine-2-carboxylate;methyl 4-chloro-5-methylpyridine-2-carboxylate?

The IUPAC name of 4-(1-tert-butylpyrazol-4-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;1-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methyl 4-(1-tert-butylpyrazol-4-yl)-5-methylpyridine-2-carboxylate;methyl 4-chloro-5-methylpyridine-2-carboxylate (CID 160781183) is 4-(1-tert-butylpyrazol-4-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;1-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methyl 4-(1-tert-butylpyrazol-4-yl)-5-methylpyridine-2-carboxylate;methyl 4-chloro-5-methylpyridine-2-carboxylate.

What is the SMILES notation for 4-(1-tert-butylpyrazol-4-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;1-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methyl 4-(1-tert-butylpyrazol-4-yl)-5-methylpyridine-2-carboxylate;methyl 4-chloro-5-methylpyridine-2-carboxylate?

The canonical SMILES for 4-(1-tert-butylpyrazol-4-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;1-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methyl 4-(1-tert-butylpyrazol-4-yl)-5-methylpyridine-2-carboxylate;methyl 4-chloro-5-methylpyridine-2-carboxylate is CC(C)(C)n1cc(B2OC(C)(C)C(C)(C)O2)cn1.COC(=O)c1cc(-c2cnn(C(C)(C)C)c2)c(C)cn1.COC(=O)c1cc(Cl)c(C)cn1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1cnn(C(C)(C)C)c1.

What is the InChIKey of 4-(1-tert-butylpyrazol-4-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;1-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methyl 4-(1-tert-butylpyrazol-4-yl)-5-methylpyridine-2-carboxylate;methyl 4-chloro-5-methylpyridine-2-carboxylate?

The InChIKey is SAPCNXJSYCNSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N9O.C15H19N3O2.C13H23BN2O2.C8H8ClNO2/c1-14(2)32-21(28-29-30-32)18-8-7-9-20(26-18)27-22(33)19-10-17(15(3)11-24-19)16-12-25-31(13-16)23(4,5)6;1-10-7-16-13(14(19)20-5)6-12(10)11-8-17-18(9-11)15(2,3)4;1-11(2,3)16-9-10(8-15-16)14-17-12(4,5)13(6,7)18-14;1-5-4-10-7(3-6(5)9)8(11)12-2/h7-14H,1-6H3,(H,26,27,33);6-9H,1-5H3;8-9H,1-7H3;3-4H,1-2H3.

What are the key properties of 4-(1-tert-butylpyrazol-4-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;1-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methyl 4-(1-tert-butylpyrazol-4-yl)-5-methylpyridine-2-carboxylate;methyl 4-chloro-5-methylpyridine-2-carboxylate?

4-(1-tert-butylpyrazol-4-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;1-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methyl 4-(1-tert-butylpyrazol-4-yl)-5-methylpyridine-2-carboxylate;methyl 4-chloro-5-methylpyridine-2-carboxylate has a molecular weight of 1154.63 g/mol, XLogP of 10.45, 9 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1-tert-butylpyrazol-4-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;1-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methyl 4-(1-tert-butylpyrazol-4-yl)-5-methylpyridine-2-carboxylate;methyl 4-chloro-5-methylpyridine-2-carboxylate is sourced from PubChem (CID 160781183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).