4-[6-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[2-(5-bromo-2-pyridinyl)-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;tert-butyl N-[2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;tert-butyl N-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;hydrochloride

C107H133BBr2ClN21O11 — CID 165019782

About 4-[6-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[2-(5-bromo-2-pyridinyl)-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;tert-butyl N-[2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;tert-butyl N-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;hydrochloride

4-[6-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[2-(5-bromo-2-pyridinyl)-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;tert-butyl N-[2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;tert-butyl N-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;hydrochloride (PubChem CID 165019782) has the molecular formula C107H133BBr2ClN21O11 and a molecular weight of 2095.45 g/mol. Its IUPAC name is 4-[6-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[2-(5-bromo-2-pyridinyl)-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;tert-butyl N-[2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;tert-butyl N-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;hydrochloride.

Molecular Properties

• Compound Name: 4-[6-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[2-(5-bromo-2-pyridinyl)-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;tert-butyl N-[2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;tert-butyl N-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;hydrochloride
• PubChem CID: 165019782
• Molecular Formula: C107H133BBr2ClN21O11
• Molecular Weight: 2095.45 g/mol
• Exact Mass: 2091.86
• IUPAC Name: 4-[6-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[2-(5-bromo-2-pyridinyl)-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;tert-butyl N-[2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;tert-butyl N-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;hydrochloride
• SMILES: CC(C)(C)OC(=O)NC12CC3CC(C1)N(c1ccc(B4OC(C)(C)C(C)(C)O4)cn1)C(C3)C2.CC(C)(C)OC(=O)NC12CC3CC(C1)N(c1ccc(Br)cn1)C(C3)C2.CCOc1cc(-c2ccc(N3C4CC5CC3CC(N)(C5)C4)nc2)c2c(C#N)cnn2c1.CCOc1cc(-c2ccc(N3C4CC5CC3CC(NC(=O)OC(C)(C)C)(C5)C4)nc2)c2c(C#N)cnn2c1.CCOc1cc(Br)c2c(C#N)cnn2c1.Cl
• InChI: InChI=1S/C29H34N6O3.C25H38BN3O4.C24H26N6O.C19H26BrN3O2.C10H8BrN3O.ClH/c1-5-37-23-10-24(26-20(14-30)16-32-34(26)17-23)19-6-7-25(31-15-19)35-21-8-18-9-22(35)13-29(11-18,12-21)33-27(36)38-28(2,3)4;1-22(2,3)31-21(30)28-25-12-16-10-18(13-25)29(19(11-16)14-25)20-9-8-17(15-27-20)26-32-23(4,5)24(6,7)33-26;1-2-31-20-7-21(23-17(11-25)13-28-29(23)14-20)16-3-4-22(27-12-16)30-18-5-15-6-19(30)10-24(26,8-15)9-18;1-18(2,3)25-17(24)22-19-8-12-6-14(9-19)23(15(7-12)10-19)16-5-4-13(20)11-21-16;1-2-15-8-3-9(11)10-7(4-12)5-13-14(10)6-8;/h6-7,10,15-18,21-22H,5,8-9,11-13H2,1-4H3,(H,33,36);8-9,15-16,18-19H,10-14H2,1-7H3,(H,28,30);3-4,7,12-15,18-19H,2,5-6,8-10,26H2,1H3;4-5,11-12,14-15H,6-10H2,1-3H3,(H,22,24);3,5-6H,2H2,1H3;1H
• InChIKey: QIZFGPLTXLQCOS-UHFFFAOYSA-N
• XLogP: 19.44
• TPSA: 374.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 16
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2095.45
LogP ≤ 5	19.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[6-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[2-(5-bromo-2-pyridinyl)-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;tert-butyl N-[2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;tert-butyl N-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;hydrochloride?

The IUPAC name of 4-[6-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[2-(5-bromo-2-pyridinyl)-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;tert-butyl N-[2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;tert-butyl N-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;hydrochloride (CID 165019782) is 4-[6-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[2-(5-bromo-2-pyridinyl)-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;tert-butyl N-[2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;tert-butyl N-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;hydrochloride.

What is the SMILES notation for 4-[6-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[2-(5-bromo-2-pyridinyl)-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;tert-butyl N-[2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;tert-butyl N-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;hydrochloride?

The canonical SMILES for 4-[6-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[2-(5-bromo-2-pyridinyl)-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;tert-butyl N-[2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;tert-butyl N-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;hydrochloride is CC(C)(C)OC(=O)NC12CC3CC(C1)N(c1ccc(B4OC(C)(C)C(C)(C)O4)cn1)C(C3)C2.CC(C)(C)OC(=O)NC12CC3CC(C1)N(c1ccc(Br)cn1)C(C3)C2.CCOc1cc(-c2ccc(N3C4CC5CC3CC(N)(C5)C4)nc2)c2c(C#N)cnn2c1.CCOc1cc(-c2ccc(N3C4CC5CC3CC(NC(=O)OC(C)(C)C)(C5)C4)nc2)c2c(C#N)cnn2c1.CCOc1cc(Br)c2c(C#N)cnn2c1.Cl.

What is the InChIKey of 4-[6-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[2-(5-bromo-2-pyridinyl)-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;tert-butyl N-[2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;tert-butyl N-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;hydrochloride?

The InChIKey is QIZFGPLTXLQCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O3.C25H38BN3O4.C24H26N6O.C19H26BrN3O2.C10H8BrN3O.ClH/c1-5-37-23-10-24(26-20(14-30)16-32-34(26)17-23)19-6-7-25(31-15-19)35-21-8-18-9-22(35)13-29(11-18,12-21)33-27(36)38-28(2,3)4;1-22(2,3)31-21(30)28-25-12-16-10-18(13-25)29(19(11-16)14-25)20-9-8-17(15-27-20)26-32-23(4,5)24(6,7)33-26;1-2-31-20-7-21(23-17(11-25)13-28-29(23)14-20)16-3-4-22(27-12-16)30-18-5-15-6-19(30)10-24(26,8-15)9-18;1-18(2,3)25-17(24)22-19-8-12-6-14(9-19)23(15(7-12)10-19)16-5-4-13(20)11-21-16;1-2-15-8-3-9(11)10-7(4-12)5-13-14(10)6-8;/h6-7,10,15-18,21-22H,5,8-9,11-13H2,1-4H3,(H,33,36);8-9,15-16,18-19H,10-14H2,1-7H3,(H,28,30);3-4,7,12-15,18-19H,2,5-6,8-10,26H2,1H3;4-5,11-12,14-15H,6-10H2,1-3H3,(H,22,24);3,5-6H,2H2,1H3;1H.

What are the key properties of 4-[6-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[2-(5-bromo-2-pyridinyl)-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;tert-butyl N-[2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;tert-butyl N-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;hydrochloride?

4-[6-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[2-(5-bromo-2-pyridinyl)-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;tert-butyl N-[2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;tert-butyl N-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;hydrochloride has a molecular weight of 2095.45 g/mol, XLogP of 19.44, 16 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[2-(5-bromo-2-pyridinyl)-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;tert-butyl N-[2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;tert-butyl N-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]carbamate;hydrochloride is sourced from PubChem (CID 165019782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).