About 4-[5-[(1R,5S)-6-(aminomethyl)-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-[[(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-(1-methylpyrazol-4-yl)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;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;deuterioethane;6-(1-methylpyrazol-4-yl)-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-[(1R,5S)-6-(aminomethyl)-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-[[(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-(1-methylpyrazol-4-yl)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;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;deuterioethane;6-(1-methylpyrazol-4-yl)-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 164974724) has the molecular formula C109H122BClF6N32O14S
and a molecular weight of 2297.71 g/mol. Its IUPAC name is 4-[5-[(1R,5S)-6-(aminomethyl)-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-[[(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-(1-methylpyrazol-4-yl)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;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;deuterioethane;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetaldehyde.
Frequently Asked Questions
What is the IUPAC name of 4-[5-[(1R,5S)-6-(aminomethyl)-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-[[(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-(1-methylpyrazol-4-yl)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;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;deuterioethane;6-(1-methylpyrazol-4-yl)-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-[(1R,5S)-6-(aminomethyl)-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-[[(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-(1-methylpyrazol-4-yl)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;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;deuterioethane;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetaldehyde (CID 164974724) is 4-[5-[(1R,5S)-6-(aminomethyl)-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-[[(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-(1-methylpyrazol-4-yl)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;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;deuterioethane;6-(1-methylpyrazol-4-yl)-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-[(1R,5S)-6-(aminomethyl)-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-[[(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-(1-methylpyrazol-4-yl)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;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;deuterioethane;6-(1-methylpyrazol-4-yl)-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-[(1R,5S)-6-(aminomethyl)-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-[[(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-(1-methylpyrazol-4-yl)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;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;deuterioethane;6-(1-methylpyrazol-4-yl)-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.Cn1cc(-c2cc(-c3cnc(N4C[C@@H]5C(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[C@@H]5C4)cn3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3cnc(N4C[C@@H]5C(CN)[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.O=CC(F)(F)F.[2H]CC.
What is the InChIKey of 4-[5-[(1R,5S)-6-(aminomethyl)-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-[[(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-(1-methylpyrazol-4-yl)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;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;deuterioethane;6-(1-methylpyrazol-4-yl)-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 DPQARYHEHQKWJC-BUGHYHHMSA-N. The full InChI is InChI=1S/C32H37N9O4.C22H21N9.C20H29ClN4O4.C18H20BN5O2.C13H8F3N5O3S.C2HF3O.C2H6/c1-31(2,3)44-29(42)40(30(43)45-32(4,5)6)18-25-23-16-39(17-24(23)25)27-13-34-26(12-35-27)22-8-19(21-11-36-38(7)14-21)15-41-28(22)20(9-33)10-37-41;1-29-9-15(6-27-29)13-2-16(22-14(3-23)5-28-31(22)10-13)20-7-26-21(8-25-20)30-11-18-17(4-24)19(18)12-30;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;1-17(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;1-20-6-10(5-18-20)8-2-11(24-25(22,23)13(14,15)16)12-9(3-17)4-19-21(12)7-8;3-2(4,5)1-6;1-2/h8,10-15,23-25H,16-18H2,1-7H3;2,5-10,17-19H,4,11-12,24H2,1H3;7-8,12-14H,9-11H2,1-6H3;6,8-11H,1-5H3;2,4-7H,1H3;1H;1-2H3/t23-,24+,25?;17?,18-,19+;12-,13+,14?;;;;/i;;;;;;1D.
What are the key properties of 4-[5-[(1R,5S)-6-(aminomethyl)-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-[[(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-(1-methylpyrazol-4-yl)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;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;deuterioethane;6-(1-methylpyrazol-4-yl)-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-[(1R,5S)-6-(aminomethyl)-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-[[(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-(1-methylpyrazol-4-yl)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;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;deuterioethane;6-(1-methylpyrazol-4-yl)-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 2297.71 g/mol, XLogP of 16.12, 17 rotatable bonds, 1 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(1R,5S)-6-(aminomethyl)-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-[[(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-(1-methylpyrazol-4-yl)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;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;deuterioethane;6-(1-methylpyrazol-4-yl)-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 164974724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).