4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride

C100H127B3Br2ClN21O15 — CID 164983164

About 4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride

4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride (PubChem CID 164983164) has the molecular formula C100H127B3Br2ClN21O15 and a molecular weight of 2090.94 g/mol. Its IUPAC name is 4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride.

Molecular Properties

• Compound Name: 4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride
• PubChem CID: 164983164
• Molecular Formula: C100H127B3Br2ClN21O15
• Molecular Weight: 2090.94 g/mol
• Exact Mass: 2087.82
• IUPAC Name: 4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride
• SMILES: CC(C)(C)OC(=O)NC1[C@H]2CN(c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]12.CC(C)(C)OC(=O)NC1[C@H]2CN(c3ccc(Br)cn3)C[C@@H]12.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COc1cc(-c2ccc(N3C[C@@H]4C(N)[C@@H]4C3)nc2)c2c(C#N)cnn2c1.COc1cc(-c2ccc(N3C[C@@H]4C(NC(=O)OC(C)(C)C)[C@@H]4C3)nc2)c2c(C#N)cnn2c1.COc1cc(Br)c2c(C#N)cnn2c1.Cl
• InChI: InChI=1S/C24H26N6O3.C21H32BN3O4.C19H18N6O.C15H20BrN3O2.C12H24B2O4.C9H6BrN3O.ClH/c1-24(2,3)33-23(31)28-21-18-12-29(13-19(18)21)20-6-5-14(9-26-20)17-7-16(32-4)11-30-22(17)15(8-25)10-27-30;1-19(2,3)27-18(26)24-17-14-11-25(12-15(14)17)16-9-8-13(10-23-16)22-28-20(4,5)21(6,7)29-22;1-26-13-4-14(19-12(5-20)7-23-25(19)8-13)11-2-3-17(22-6-11)24-9-15-16(10-24)18(15)21;1-15(2,3)21-14(20)18-13-10-7-19(8-11(10)13)12-5-4-9(16)6-17-12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-14-7-2-8(10)9-6(3-11)4-12-13(9)5-7;/h5-7,9-11,18-19,21H,12-13H2,1-4H3,(H,28,31);8-10,14-15,17H,11-12H2,1-7H3,(H,24,26);2-4,6-8,15-16,18H,9-10,21H2,1H3;4-6,10-11,13H,7-8H2,1-3H3,(H,18,20);1-8H3;2,4-5H,1H3;1H/t18-,19+,21?;14-,15+,17?;15-,16+,18?;10-,11+,13?
• InChIKey: NKFLNCWOVBJCFL-AMMRGZOWSA-N
• XLogP: 14.70
• TPSA: 411.87 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 14
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2090.94
LogP ≤ 5	14.70
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

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-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride?

The IUPAC name of 4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride (CID 164983164) is 4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride.

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

The canonical SMILES for 4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride is CC(C)(C)OC(=O)NC1[C@H]2CN(c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C[C@@H]12.CC(C)(C)OC(=O)NC1[C@H]2CN(c3ccc(Br)cn3)C[C@@H]12.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COc1cc(-c2ccc(N3C[C@@H]4C(N)[C@@H]4C3)nc2)c2c(C#N)cnn2c1.COc1cc(-c2ccc(N3C[C@@H]4C(NC(=O)OC(C)(C)C)[C@@H]4C3)nc2)c2c(C#N)cnn2c1.COc1cc(Br)c2c(C#N)cnn2c1.Cl.

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

The InChIKey is NKFLNCWOVBJCFL-AMMRGZOWSA-N. The full InChI is InChI=1S/C24H26N6O3.C21H32BN3O4.C19H18N6O.C15H20BrN3O2.C12H24B2O4.C9H6BrN3O.ClH/c1-24(2,3)33-23(31)28-21-18-12-29(13-19(18)21)20-6-5-14(9-26-20)17-7-16(32-4)11-30-22(17)15(8-25)10-27-30;1-19(2,3)27-18(26)24-17-14-11-25(12-15(14)17)16-9-8-13(10-23-16)22-28-20(4,5)21(6,7)29-22;1-26-13-4-14(19-12(5-20)7-23-25(19)8-13)11-2-3-17(22-6-11)24-9-15-16(10-24)18(15)21;1-15(2,3)21-14(20)18-13-10-7-19(8-11(10)13)12-5-4-9(16)6-17-12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-14-7-2-8(10)9-6(3-11)4-12-13(9)5-7;/h5-7,9-11,18-19,21H,12-13H2,1-4H3,(H,28,31);8-10,14-15,17H,11-12H2,1-7H3,(H,24,26);2-4,6-8,15-16,18H,9-10,21H2,1H3;4-6,10-11,13H,7-8H2,1-3H3,(H,18,20);1-8H3;2,4-5H,1H3;1H/t18-,19+,21?;14-,15+,17?;15-,16+,18?;10-,11+,13?;;;.

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

4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride has a molecular weight of 2090.94 g/mol, XLogP of 14.70, 14 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-[5-(3-cyano-6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1S,5R)-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride is sourced from PubChem (CID 164983164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).