4-[5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;deuterioethane;methane;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C95H103BClF3N32O9S — CID 164994013

About 4-[5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;deuterioethane;methane;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;deuterioethane;methane;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 164994013) has the molecular formula C95H103BClF3N32O9S and a molecular weight of 1973.42 g/mol. Its IUPAC name is 4-[5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;deuterioethane;methane;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;deuterioethane;methane;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 164994013
• Molecular Formula: C95H103BClF3N32O9S
• Molecular Weight: 1973.42 g/mol
• Exact Mass: 1971.81
• IUPAC Name: 4-[5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;deuterioethane;methane;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: C.CC(C)(C)OC(=O)NC1[C@H]2CN(c3cnc(Cl)cn3)C[C@@H]12.Cn1cc(-c2cc(-c3cnc(N4C[C@@H]5C(N)[C@@H]5C4)cn3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3cnc(N4C[C@@H]5C(NC(=O)OC(C)(C)C)[C@@H]5C4)cn3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(B3OC(C)(C)C(C)(C)O3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(OS(=O)(=O)C(F)(F)F)c3c(C#N)cnn3c2)cn1.[2H]CC
• InChI: InChI=1S/C26H27N9O2.C21H19N9.C18H20BN5O2.C14H19ClN4O2.C13H8F3N5O3S.C2H6.CH4/c1-26(2,3)37-25(36)32-23-19-13-34(14-20(19)23)22-10-28-21(9-29-22)18-5-15(17-8-30-33(4)11-17)12-35-24(18)16(6-27)7-31-35;1-28-8-14(5-26-28)12-2-15(21-13(3-22)4-27-30(21)9-12)18-6-25-19(7-24-18)29-10-16-17(11-29)20(16)23;1-17(2)18(3,4)26-19(25-17)15-6-12(14-9-21-23(5)10-14)11-24-16(15)13(7-20)8-22-24;1-14(2,3)21-13(20)18-12-8-6-19(7-9(8)12)11-5-16-10(15)4-17-11;1-20-6-10(5-18-20)8-2-11(24-25(22,23)13(14,15)16)12-9(3-17)4-19-21(12)7-8;1-2;/h5,7-12,19-20,23H,13-14H2,1-4H3,(H,32,36);2,4-9,16-17,20H,10-11,23H2,1H3;6,8-11H,1-5H3;4-5,8-9,12H,6-7H2,1-3H3,(H,18,20);2,4-7H,1H3;1-2H3;1H4/t19-,20+,23?;16-,17+,20?;;8-,9+,12?;;;/i;;;;;1D
• InChIKey: HHBNZMYWVICMDJ-QWRVBBMSSA-N
• XLogP: 11.97
• TPSA: 487.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 39
• Rotatable Bonds: 14
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1973.42
LogP ≤ 5	11.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', '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-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;deuterioethane;methane;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;deuterioethane;methane;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 164994013) is 4-[5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;deuterioethane;methane;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

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

The canonical SMILES for 4-[5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;deuterioethane;methane;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is C.CC(C)(C)OC(=O)NC1[C@H]2CN(c3cnc(Cl)cn3)C[C@@H]12.Cn1cc(-c2cc(-c3cnc(N4C[C@@H]5C(N)[C@@H]5C4)cn3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3cnc(N4C[C@@H]5C(NC(=O)OC(C)(C)C)[C@@H]5C4)cn3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(B3OC(C)(C)C(C)(C)O3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(OS(=O)(=O)C(F)(F)F)c3c(C#N)cnn3c2)cn1.[2H]CC.

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

The InChIKey is HHBNZMYWVICMDJ-QWRVBBMSSA-N. The full InChI is InChI=1S/C26H27N9O2.C21H19N9.C18H20BN5O2.C14H19ClN4O2.C13H8F3N5O3S.C2H6.CH4/c1-26(2,3)37-25(36)32-23-19-13-34(14-20(19)23)22-10-28-21(9-29-22)18-5-15(17-8-30-33(4)11-17)12-35-24(18)16(6-27)7-31-35;1-28-8-14(5-26-28)12-2-15(21-13(3-22)4-27-30(21)9-12)18-6-25-19(7-24-18)29-10-16-17(11-29)20(16)23;1-17(2)18(3,4)26-19(25-17)15-6-12(14-9-21-23(5)10-14)11-24-16(15)13(7-20)8-22-24;1-14(2,3)21-13(20)18-12-8-6-19(7-9(8)12)11-5-16-10(15)4-17-11;1-20-6-10(5-18-20)8-2-11(24-25(22,23)13(14,15)16)12-9(3-17)4-19-21(12)7-8;1-2;/h5,7-12,19-20,23H,13-14H2,1-4H3,(H,32,36);2,4-9,16-17,20H,10-11,23H2,1H3;6,8-11H,1-5H3;4-5,8-9,12H,6-7H2,1-3H3,(H,18,20);2,4-7H,1H3;1-2H3;1H4/t19-,20+,23?;16-,17+,20?;;8-,9+,12?;;;/i;;;;;1D;.

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

4-[5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;deuterioethane;methane;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 1973.42 g/mol, XLogP of 11.97, 14 rotatable bonds, 3 hydrogen bond donors, and 39 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-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;tert-butyl N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;deuterioethane;methane;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164994013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).