4-[5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;2,5-dichloropyrazine;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride

C97H114BBrCl4N28O12 — CID 165039976

About 4-[5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;2,5-dichloropyrazine;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride

4-[5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;2,5-dichloropyrazine;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride (PubChem CID 165039976) has the molecular formula C97H114BBrCl4N28O12 and a molecular weight of 2096.69 g/mol. Its IUPAC name is 4-[5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;2,5-dichloropyrazine;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride.

Molecular Properties

• Compound Name: 4-[5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;2,5-dichloropyrazine;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride
• PubChem CID: 165039976
• Molecular Formula: C97H114BBrCl4N28O12
• Molecular Weight: 2096.69 g/mol
• Exact Mass: 2092.72
• IUPAC Name: 4-[5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;2,5-dichloropyrazine;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride
• SMILES: CC(C)(C)OC(=O)NC1[C@H]2CN(c3cnc(Cl)cn3)C[C@@H]12.CC(C)(C)OC(=O)NC1[C@H]2CNC[C@@H]12.CCOc1cc(-c2cnc(N3C[C@@H]4C(N)[C@@H]4C3)cn2)c2c(C#N)cnn2c1.CCOc1cc(-c2cnc(N3C[C@@H]4C(NC(=O)OC(C)(C)C)[C@@H]4C3)cn2)c2c(C#N)cnn2c1.CCOc1cc(B2OC(C)(C)C(C)(C)O2)c2c(C#N)cnn2c1.CCOc1cc(Br)c2c(C#N)cnn2c1.Cl.Clc1cnc(Cl)cn1
• InChI: InChI=1S/C24H27N7O3.C19H19N7O.C16H20BN3O3.C14H19ClN4O2.C10H8BrN3O.C10H18N2O2.C4H2Cl2N2.ClH/c1-5-33-15-6-16(22-14(7-25)8-28-31(22)11-15)19-9-27-20(10-26-19)30-12-17-18(13-30)21(17)29-23(32)34-24(2,3)4;1-2-27-12-3-13(19-11(4-20)5-24-26(19)8-12)16-6-23-17(7-22-16)25-9-14-15(10-25)18(14)21;1-6-21-12-7-13(14-11(8-18)9-19-20(14)10-12)17-22-15(2,3)16(4,5)23-17;1-14(2,3)21-13(20)18-12-8-6-19(7-9(8)12)11-5-16-10(15)4-17-11;1-2-15-8-3-9(11)10-7(4-12)5-13-14(10)6-8;1-10(2,3)14-9(13)12-8-6-4-11-5-7(6)8;5-3-1-7-4(6)2-8-3;/h6,8-11,17-18,21H,5,12-13H2,1-4H3,(H,29,32);3,5-8,14-15,18H,2,9-10,21H2,1H3;7,9-10H,6H2,1-5H3;4-5,8-9,12H,6-7H2,1-3H3,(H,18,20);3,5-6H,2H2,1H3;6-8,11H,4-5H2,1-3H3,(H,12,13);1-2H;1H/t17-,18+,21?;14-,15+,18?;;8-,9+,12?;;6-,7+,8?
• InChIKey: SJBITCIUTLGLRF-GTQYDCJBSA-N
• XLogP: 13.77
• TPSA: 485.62 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Rotatable Bonds: 17
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2096.69
LogP ≤ 5	13.77
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	37

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-[5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;2,5-dichloropyrazine;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride?

The IUPAC name of 4-[5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;2,5-dichloropyrazine;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride (CID 165039976) is 4-[5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;2,5-dichloropyrazine;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride.

What is the SMILES notation for 4-[5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;2,5-dichloropyrazine;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride?

The canonical SMILES for 4-[5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;2,5-dichloropyrazine;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride is CC(C)(C)OC(=O)NC1[C@H]2CN(c3cnc(Cl)cn3)C[C@@H]12.CC(C)(C)OC(=O)NC1[C@H]2CNC[C@@H]12.CCOc1cc(-c2cnc(N3C[C@@H]4C(N)[C@@H]4C3)cn2)c2c(C#N)cnn2c1.CCOc1cc(-c2cnc(N3C[C@@H]4C(NC(=O)OC(C)(C)C)[C@@H]4C3)cn2)c2c(C#N)cnn2c1.CCOc1cc(B2OC(C)(C)C(C)(C)O2)c2c(C#N)cnn2c1.CCOc1cc(Br)c2c(C#N)cnn2c1.Cl.Clc1cnc(Cl)cn1.

What is the InChIKey of 4-[5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;2,5-dichloropyrazine;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride?

The InChIKey is SJBITCIUTLGLRF-GTQYDCJBSA-N. The full InChI is InChI=1S/C24H27N7O3.C19H19N7O.C16H20BN3O3.C14H19ClN4O2.C10H8BrN3O.C10H18N2O2.C4H2Cl2N2.ClH/c1-5-33-15-6-16(22-14(7-25)8-28-31(22)11-15)19-9-27-20(10-26-19)30-12-17-18(13-30)21(17)29-23(32)34-24(2,3)4;1-2-27-12-3-13(19-11(4-20)5-24-26(19)8-12)16-6-23-17(7-22-16)25-9-14-15(10-25)18(14)21;1-6-21-12-7-13(14-11(8-18)9-19-20(14)10-12)17-22-15(2,3)16(4,5)23-17;1-14(2,3)21-13(20)18-12-8-6-19(7-9(8)12)11-5-16-10(15)4-17-11;1-2-15-8-3-9(11)10-7(4-12)5-13-14(10)6-8;1-10(2,3)14-9(13)12-8-6-4-11-5-7(6)8;5-3-1-7-4(6)2-8-3;/h6,8-11,17-18,21H,5,12-13H2,1-4H3,(H,29,32);3,5-8,14-15,18H,2,9-10,21H2,1H3;7,9-10H,6H2,1-5H3;4-5,8-9,12H,6-7H2,1-3H3,(H,18,20);3,5-6H,2H2,1H3;6-8,11H,4-5H2,1-3H3,(H,12,13);1-2H;1H/t17-,18+,21?;14-,15+,18?;;8-,9+,12?;;6-,7+,8?;;.

What are the key properties of 4-[5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;2,5-dichloropyrazine;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride?

4-[5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;2,5-dichloropyrazine;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride has a molecular weight of 2096.69 g/mol, XLogP of 13.77, 17 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;2,5-dichloropyrazine;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride is sourced from PubChem (CID 165039976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).