4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;5-bromo-2-fluoropyridine;tert-butyl N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;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-(1-methylpyrazol-4-yl)pyrazolo[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;[5-cyano-2-(1-methylpyrazol-4-yl)-7aH-cyclopenta[b]pyridin-4-yl] trifluoromethanesulfonate;hydrochloride

C114H131BBr2ClF4N29O13S — CID 165087399

IUPAC4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;5-bromo-2-fluoropyridine;tert-butyl N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;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-(1-methylpyrazol-4-yl)pyrazolo[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;[5-cyano-2-(1-methylpyrazol-4-yl)-7aH-cyclopenta[b]pyridin-4-yl] trifluoromethanesulfonate;hydrochloride
SMILESCC(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.CC(C)(C)OC(=O)NC1[C@H]2CNC[C@@H]12.Cl.Cn1cc(-c2cc(-c3ccc(N4C[C@@H]5C(N)[C@@H]5C4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4C[C@@H]5C(NC(=O)OC(C)(C)C)[C@@H]5C4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(C2=NC3C=CC(C#N)=C3C(OS(=O)(=O)C(F)(F)F)=C2)cn1.Fc1ccc(Br)cn1
InChIInChI=1S/C27H28N8O2.C22H20N8.C21H32BN3O4.C15H20BrN3O2.C14H9F3N4O3S.C10H18N2O2.C5H3BrFN.ClH/c1-27(2,3)37-26(36)32-24-21-14-34(15-22(21)24)23-6-5-16(9-29-23)20-7-17(19-11-30-33(4)12-19)13-35-25(20)18(8-28)10-31-35;1-28-9-16(8-26-28)14-4-17(22-15(5-23)7-27-30(22)10-14)13-2-3-20(25-6-13)29-11-18-19(12-29)21(18)24;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;1-15(2,3)21-14(20)18-13-10-7-19(8-11(10)13)12-5-4-9(16)6-17-12;1-21-7-9(6-19-21)11-4-12(24-25(22,23)14(15,16)17)13-8(5-18)2-3-10(13)20-11;1-10(2,3)14-9(13)12-8-6-4-11-5-7(6)8;6-4-1-2-5(7)8-3-4;/h5-7,9-13,21-22,24H,14-15H2,1-4H3,(H,32,36);2-4,6-10,18-19,21H,11-12,24H2,1H3;8-10,14-15,17H,11-12H2,1-7H3,(H,24,26);4-6,10-11,13H,7-8H2,1-3H3,(H,18,20);2-4,6-7,10H,1H3;6-8,11H,4-5H2,1-3H3,(H,12,13);1-3H;1H/t21-,22+,24?;18-,19+,21?;14-,15+,17?;10-,11+,13?;;6-,7+,8?;;
InChIKeyKVWBJUNUDJLLKI-RELXTLCVSA-N
MW2429.62 g/mol
LogP15.70
Rot. Bonds16

About 4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;5-bromo-2-fluoropyridine;tert-butyl N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;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-(1-methylpyrazol-4-yl)pyrazolo[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;[5-cyano-2-(1-methylpyrazol-4-yl)-7aH-cyclopenta[b]pyridin-4-yl] trifluoromethanesulfonate;hydrochloride

4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;5-bromo-2-fluoropyridine;tert-butyl N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;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-(1-methylpyrazol-4-yl)pyrazolo[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;[5-cyano-2-(1-methylpyrazol-4-yl)-7aH-cyclopenta[b]pyridin-4-yl] trifluoromethanesulfonate;hydrochloride (PubChem CID 165087399) has the molecular formula C114H131BBr2ClF4N29O13S and a molecular weight of 2429.62 g/mol. Its IUPAC name is 4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;5-bromo-2-fluoropyridine;tert-butyl N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;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-(1-methylpyrazol-4-yl)pyrazolo[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;[5-cyano-2-(1-methylpyrazol-4-yl)-7aH-cyclopenta[b]pyridin-4-yl] trifluoromethanesulfonate;hydrochloride.

Molecular Properties

Compound Name4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;5-bromo-2-fluoropyridine;tert-butyl N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;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-(1-methylpyrazol-4-yl)pyrazolo[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;[5-cyano-2-(1-methylpyrazol-4-yl)-7aH-cyclopenta[b]pyridin-4-yl] trifluoromethanesulfonate;hydrochloride
PubChem CID165087399
Molecular FormulaC114H131BBr2ClF4N29O13S
Molecular Weight2429.62 g/mol
Exact Mass2425.83
IUPAC Name4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;5-bromo-2-fluoropyridine;tert-butyl N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;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-(1-methylpyrazol-4-yl)pyrazolo[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;[5-cyano-2-(1-methylpyrazol-4-yl)-7aH-cyclopenta[b]pyridin-4-yl] trifluoromethanesulfonate;hydrochloride
SMILESCC(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.CC(C)(C)OC(=O)NC1[C@H]2CNC[C@@H]12.Cl.Cn1cc(-c2cc(-c3ccc(N4C[C@@H]5C(N)[C@@H]5C4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4C[C@@H]5C(NC(=O)OC(C)(C)C)[C@@H]5C4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(C2=NC3C=CC(C#N)=C3C(OS(=O)(=O)C(F)(F)F)=C2)cn1.Fc1ccc(Br)cn1
InChIInChI=1S/C27H28N8O2.C22H20N8.C21H32BN3O4.C15H20BrN3O2.C14H9F3N4O3S.C10H18N2O2.C5H3BrFN.ClH/c1-27(2,3)37-26(36)32-24-21-14-34(15-22(21)24)23-6-5-16(9-29-23)20-7-17(19-11-30-33(4)12-19)13-35-25(20)18(8-28)10-31-35;1-28-9-16(8-26-28)14-4-17(22-15(5-23)7-27-30(22)10-14)13-2-3-20(25-6-13)29-11-18-19(12-29)21(18)24;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;1-15(2,3)21-14(20)18-13-10-7-19(8-11(10)13)12-5-4-9(16)6-17-12;1-21-7-9(6-19-21)11-4-12(24-25(22,23)14(15,16)17)13-8(5-18)2-3-10(13)20-11;1-10(2,3)14-9(13)12-8-6-4-11-5-7(6)8;6-4-1-2-5(7)8-3-4;/h5-7,9-13,21-22,24H,14-15H2,1-4H3,(H,32,36);2-4,6-10,18-19,21H,11-12,24H2,1H3;8-10,14-15,17H,11-12H2,1-7H3,(H,24,26);4-6,10-11,13H,7-8H2,1-3H3,(H,18,20);2-4,6-7,10H,1H3;6-8,11H,4-5H2,1-3H3,(H,12,13);1-3H;1H/t21-,22+,24?;18-,19+,21?;14-,15+,17?;10-,11+,13?;;6-,7+,8?;;
InChIKeyKVWBJUNUDJLLKI-RELXTLCVSA-N
XLogP15.70
TPSA502.40 Ų
H-Bond Donors6
H-Bond Acceptors38
Rotatable Bonds16
Heavy Atoms165
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002429.62
LogP ≤ 515.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze 4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;5-bromo-2-fluoropyridine;tert-butyl N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;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-(1-methylpyrazol-4-yl)pyrazolo[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;[5-cyano-2-(1-methylpyrazol-4-yl)-7aH-cyclopenta[b]pyridin-4-yl] trifluoromethanesulfonate;hydrochloride with MolForge

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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-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;5-bromo-2-fluoropyridine;tert-butyl N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;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-(1-methylpyrazol-4-yl)pyrazolo[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;[5-cyano-2-(1-methylpyrazol-4-yl)-7aH-cyclopenta[b]pyridin-4-yl] trifluoromethanesulfonate;hydrochloride?
The IUPAC name of 4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;5-bromo-2-fluoropyridine;tert-butyl N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;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-(1-methylpyrazol-4-yl)pyrazolo[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;[5-cyano-2-(1-methylpyrazol-4-yl)-7aH-cyclopenta[b]pyridin-4-yl] trifluoromethanesulfonate;hydrochloride (CID 165087399) is 4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;5-bromo-2-fluoropyridine;tert-butyl N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;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-(1-methylpyrazol-4-yl)pyrazolo[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;[5-cyano-2-(1-methylpyrazol-4-yl)-7aH-cyclopenta[b]pyridin-4-yl] trifluoromethanesulfonate;hydrochloride.
What is the SMILES notation for 4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;5-bromo-2-fluoropyridine;tert-butyl N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;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-(1-methylpyrazol-4-yl)pyrazolo[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;[5-cyano-2-(1-methylpyrazol-4-yl)-7aH-cyclopenta[b]pyridin-4-yl] trifluoromethanesulfonate;hydrochloride?
The canonical SMILES for 4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;5-bromo-2-fluoropyridine;tert-butyl N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;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-(1-methylpyrazol-4-yl)pyrazolo[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;[5-cyano-2-(1-methylpyrazol-4-yl)-7aH-cyclopenta[b]pyridin-4-yl] trifluoromethanesulfonate;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.CC(C)(C)OC(=O)NC1[C@H]2CNC[C@@H]12.Cl.Cn1cc(-c2cc(-c3ccc(N4C[C@@H]5C(N)[C@@H]5C4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4C[C@@H]5C(NC(=O)OC(C)(C)C)[C@@H]5C4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(C2=NC3C=CC(C#N)=C3C(OS(=O)(=O)C(F)(F)F)=C2)cn1.Fc1ccc(Br)cn1.
What is the InChIKey of 4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;5-bromo-2-fluoropyridine;tert-butyl N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;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-(1-methylpyrazol-4-yl)pyrazolo[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;[5-cyano-2-(1-methylpyrazol-4-yl)-7aH-cyclopenta[b]pyridin-4-yl] trifluoromethanesulfonate;hydrochloride?
The InChIKey is KVWBJUNUDJLLKI-RELXTLCVSA-N. The full InChI is InChI=1S/C27H28N8O2.C22H20N8.C21H32BN3O4.C15H20BrN3O2.C14H9F3N4O3S.C10H18N2O2.C5H3BrFN.ClH/c1-27(2,3)37-26(36)32-24-21-14-34(15-22(21)24)23-6-5-16(9-29-23)20-7-17(19-11-30-33(4)12-19)13-35-25(20)18(8-28)10-31-35;1-28-9-16(8-26-28)14-4-17(22-15(5-23)7-27-30(22)10-14)13-2-3-20(25-6-13)29-11-18-19(12-29)21(18)24;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;1-15(2,3)21-14(20)18-13-10-7-19(8-11(10)13)12-5-4-9(16)6-17-12;1-21-7-9(6-19-21)11-4-12(24-25(22,23)14(15,16)17)13-8(5-18)2-3-10(13)20-11;1-10(2,3)14-9(13)12-8-6-4-11-5-7(6)8;6-4-1-2-5(7)8-3-4;/h5-7,9-13,21-22,24H,14-15H2,1-4H3,(H,32,36);2-4,6-10,18-19,21H,11-12,24H2,1H3;8-10,14-15,17H,11-12H2,1-7H3,(H,24,26);4-6,10-11,13H,7-8H2,1-3H3,(H,18,20);2-4,6-7,10H,1H3;6-8,11H,4-5H2,1-3H3,(H,12,13);1-3H;1H/t21-,22+,24?;18-,19+,21?;14-,15+,17?;10-,11+,13?;;6-,7+,8?;;.
What are the key properties of 4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;5-bromo-2-fluoropyridine;tert-butyl N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;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-(1-methylpyrazol-4-yl)pyrazolo[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;[5-cyano-2-(1-methylpyrazol-4-yl)-7aH-cyclopenta[b]pyridin-4-yl] trifluoromethanesulfonate;hydrochloride?
4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;5-bromo-2-fluoropyridine;tert-butyl N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;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-(1-methylpyrazol-4-yl)pyrazolo[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;[5-cyano-2-(1-methylpyrazol-4-yl)-7aH-cyclopenta[b]pyridin-4-yl] trifluoromethanesulfonate;hydrochloride has a molecular weight of 2429.62 g/mol, XLogP of 15.70, 16 rotatable bonds, 6 hydrogen bond donors, and 38 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-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;5-bromo-2-fluoropyridine;tert-butyl N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate;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-(1-methylpyrazol-4-yl)pyrazolo[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;[5-cyano-2-(1-methylpyrazol-4-yl)-7aH-cyclopenta[b]pyridin-4-yl] trifluoromethanesulfonate;hydrochloride is sourced from PubChem (CID 165087399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).