4-[5-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[[(1R,5S)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;deuterioethane;6-(2-hydroxy-2-methylpropoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetaldehyde

C108H138BBrClF3N24O19 — CID 165030058

IUPAC4-[5-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[[(1R,5S)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;deuterioethane;6-(2-hydroxy-2-methylpropoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetaldehyde
SMILESCC(C)(C)OC(=O)N(CC1[C@H]2CN(c3cnc(Cl)cn3)C[C@@H]12)C(=O)OC(C)(C)C.CC(C)(O)COc1cc(-c2cnc(N3C[C@@H]4C(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[C@@H]4C3)cn2)c2c(C#N)cnn2c1.CC(C)(O)COc1cc(-c2cnc(N3C[C@@H]4C(CN)[C@@H]4C3)cn2)c2c(C#N)cnn2c1.CC(C)(O)COc1cc(B2OC(C)(C)C(C)(C)O2)c2c(C#N)cnn2c1.CC(C)(O)COc1cc(Br)c2c(C#N)cnn2c1.O=CC(F)(F)F.[2H]CC
InChIInChI=1S/C32H41N7O6.C22H25N7O2.C20H29ClN4O4.C18H24BN3O4.C12H12BrN3O2.C2HF3O.C2H6/c1-30(2,3)44-28(40)38(29(41)45-31(4,5)6)17-24-22-15-37(16-23(22)24)26-13-34-25(12-35-26)21-9-20(43-18-32(7,8)42)14-39-27(21)19(10-33)11-36-39;1-22(2,30)12-31-14-3-15(21-13(4-23)6-27-29(21)9-14)19-7-26-20(8-25-19)28-10-17-16(5-24)18(17)11-28;1-19(2,3)28-17(26)25(18(27)29-20(4,5)6)11-14-12-9-24(10-13(12)14)16-8-22-15(21)7-23-16;1-16(2,23)11-24-13-7-14(15-12(8-20)9-21-22(15)10-13)19-25-17(3,4)18(5,6)26-19;1-12(2,17)7-18-9-3-10(13)11-8(4-14)5-15-16(11)6-9;3-2(4,5)1-6;1-2/h9,11-14,22-24,42H,15-18H2,1-8H3;3,6-9,16-18,30H,5,10-12,24H2,1-2H3;7-8,12-14H,9-11H2,1-6H3;7,9-10,23H,11H2,1-6H3;3,5-6,17H,7H2,1-2H3;1H;1-2H3/t22-,23+,24?;16?,17-,18+;12-,13+,14?;;;;/i;;;;;;1D
InChIKeyMMWRQAJPABEMSO-SKQJQIQDSA-N
MW2260.61 g/mol
LogP15.65
Rot. Bonds23

About 4-[5-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[[(1R,5S)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;deuterioethane;6-(2-hydroxy-2-methylpropoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetaldehyde

4-[5-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[[(1R,5S)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;deuterioethane;6-(2-hydroxy-2-methylpropoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetaldehyde (PubChem CID 165030058) has the molecular formula C108H138BBrClF3N24O19 and a molecular weight of 2260.61 g/mol. Its IUPAC name is 4-[5-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[[(1R,5S)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;deuterioethane;6-(2-hydroxy-2-methylpropoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetaldehyde.

Molecular Properties

Compound Name4-[5-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[[(1R,5S)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;deuterioethane;6-(2-hydroxy-2-methylpropoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetaldehyde
PubChem CID165030058
Molecular FormulaC108H138BBrClF3N24O19
Molecular Weight2260.61 g/mol
Exact Mass2257.95
IUPAC Name4-[5-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[[(1R,5S)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;deuterioethane;6-(2-hydroxy-2-methylpropoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetaldehyde
SMILESCC(C)(C)OC(=O)N(CC1[C@H]2CN(c3cnc(Cl)cn3)C[C@@H]12)C(=O)OC(C)(C)C.CC(C)(O)COc1cc(-c2cnc(N3C[C@@H]4C(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[C@@H]4C3)cn2)c2c(C#N)cnn2c1.CC(C)(O)COc1cc(-c2cnc(N3C[C@@H]4C(CN)[C@@H]4C3)cn2)c2c(C#N)cnn2c1.CC(C)(O)COc1cc(B2OC(C)(C)C(C)(C)O2)c2c(C#N)cnn2c1.CC(C)(O)COc1cc(Br)c2c(C#N)cnn2c1.O=CC(F)(F)F.[2H]CC
InChIInChI=1S/C32H41N7O6.C22H25N7O2.C20H29ClN4O4.C18H24BN3O4.C12H12BrN3O2.C2HF3O.C2H6/c1-30(2,3)44-28(40)38(29(41)45-31(4,5)6)17-24-22-15-37(16-23(22)24)26-13-34-25(12-35-26)21-9-20(43-18-32(7,8)42)14-39-27(21)19(10-33)11-36-39;1-22(2,30)12-31-14-3-15(21-13(4-23)6-27-29(21)9-14)19-7-26-20(8-25-19)28-10-17-16(5-24)18(17)11-28;1-19(2,3)28-17(26)25(18(27)29-20(4,5)6)11-14-12-9-24(10-13(12)14)16-8-22-15(21)7-23-16;1-16(2,23)11-24-13-7-14(15-12(8-20)9-21-22(15)10-13)19-25-17(3,4)18(5,6)26-19;1-12(2,17)7-18-9-3-10(13)11-8(4-14)5-15-16(11)6-9;3-2(4,5)1-6;1-2/h9,11-14,22-24,42H,15-18H2,1-8H3;3,6-9,16-18,30H,5,10-12,24H2,1-2H3;7-8,12-14H,9-11H2,1-6H3;7,9-10,23H,11H2,1-6H3;3,5-6,17H,7H2,1-2H3;1H;1-2H3/t22-,23+,24?;16?,17-,18+;12-,13+,14?;;;;/i;;;;;;1D
InChIKeyMMWRQAJPABEMSO-SKQJQIQDSA-N
XLogP15.65
TPSA542.49 Ų
H-Bond Donors5
H-Bond Acceptors41
Rotatable Bonds23
Heavy Atoms157
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002260.61
LogP ≤ 515.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

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

Analyze 4-[5-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[[(1R,5S)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;deuterioethane;6-(2-hydroxy-2-methylpropoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetaldehyde with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[[(1R,5S)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;deuterioethane;6-(2-hydroxy-2-methylpropoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetaldehyde?
The IUPAC name of 4-[5-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[[(1R,5S)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;deuterioethane;6-(2-hydroxy-2-methylpropoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetaldehyde (CID 165030058) is 4-[5-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[[(1R,5S)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;deuterioethane;6-(2-hydroxy-2-methylpropoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetaldehyde.
What is the SMILES notation for 4-[5-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[[(1R,5S)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;deuterioethane;6-(2-hydroxy-2-methylpropoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetaldehyde?
The canonical SMILES for 4-[5-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[[(1R,5S)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;deuterioethane;6-(2-hydroxy-2-methylpropoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetaldehyde is CC(C)(C)OC(=O)N(CC1[C@H]2CN(c3cnc(Cl)cn3)C[C@@H]12)C(=O)OC(C)(C)C.CC(C)(O)COc1cc(-c2cnc(N3C[C@@H]4C(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[C@@H]4C3)cn2)c2c(C#N)cnn2c1.CC(C)(O)COc1cc(-c2cnc(N3C[C@@H]4C(CN)[C@@H]4C3)cn2)c2c(C#N)cnn2c1.CC(C)(O)COc1cc(B2OC(C)(C)C(C)(C)O2)c2c(C#N)cnn2c1.CC(C)(O)COc1cc(Br)c2c(C#N)cnn2c1.O=CC(F)(F)F.[2H]CC.
What is the InChIKey of 4-[5-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[[(1R,5S)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;deuterioethane;6-(2-hydroxy-2-methylpropoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetaldehyde?
The InChIKey is MMWRQAJPABEMSO-SKQJQIQDSA-N. The full InChI is InChI=1S/C32H41N7O6.C22H25N7O2.C20H29ClN4O4.C18H24BN3O4.C12H12BrN3O2.C2HF3O.C2H6/c1-30(2,3)44-28(40)38(29(41)45-31(4,5)6)17-24-22-15-37(16-23(22)24)26-13-34-25(12-35-26)21-9-20(43-18-32(7,8)42)14-39-27(21)19(10-33)11-36-39;1-22(2,30)12-31-14-3-15(21-13(4-23)6-27-29(21)9-14)19-7-26-20(8-25-19)28-10-17-16(5-24)18(17)11-28;1-19(2,3)28-17(26)25(18(27)29-20(4,5)6)11-14-12-9-24(10-13(12)14)16-8-22-15(21)7-23-16;1-16(2,23)11-24-13-7-14(15-12(8-20)9-21-22(15)10-13)19-25-17(3,4)18(5,6)26-19;1-12(2,17)7-18-9-3-10(13)11-8(4-14)5-15-16(11)6-9;3-2(4,5)1-6;1-2/h9,11-14,22-24,42H,15-18H2,1-8H3;3,6-9,16-18,30H,5,10-12,24H2,1-2H3;7-8,12-14H,9-11H2,1-6H3;7,9-10,23H,11H2,1-6H3;3,5-6,17H,7H2,1-2H3;1H;1-2H3/t22-,23+,24?;16?,17-,18+;12-,13+,14?;;;;/i;;;;;;1D.
What are the key properties of 4-[5-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[[(1R,5S)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;deuterioethane;6-(2-hydroxy-2-methylpropoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetaldehyde?
4-[5-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[[(1R,5S)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;deuterioethane;6-(2-hydroxy-2-methylpropoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetaldehyde has a molecular weight of 2260.61 g/mol, XLogP of 15.65, 23 rotatable bonds, 5 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;tert-butyl N-[[(1R,5S)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[(1R,5S)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;deuterioethane;6-(2-hydroxy-2-methylpropoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 165030058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).