About sodium;4-[5-[(3aR,6aS)-5-amino-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-[(3aR,6aS)-2-(5-chloropyrazin-2-yl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]acetaldehyde;4-[5-[(3aS,6aR)-5-methyl-5-(2-oxoethyl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-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;ethanol;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-oxohydrazinyl)hydrazinylidene]azanide
sodium;4-[5-[(3aR,6aS)-5-amino-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-[(3aR,6aS)-2-(5-chloropyrazin-2-yl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]acetaldehyde;4-[5-[(3aS,6aR)-5-methyl-5-(2-oxoethyl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-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;ethanol;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-oxohydrazinyl)hydrazinylidene]azanide (PubChem CID 164951162) has the molecular formula C96H121BBrClN27NaO14
and a molecular weight of 2026.36 g/mol. Its IUPAC name is sodium;4-[5-[(3aR,6aS)-5-amino-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-[(3aR,6aS)-2-(5-chloropyrazin-2-yl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]acetaldehyde;4-[5-[(3aS,6aR)-5-methyl-5-(2-oxoethyl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-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;ethanol;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-oxohydrazinyl)hydrazinylidene]azanide.
Frequently Asked Questions
What is the IUPAC name of sodium;4-[5-[(3aR,6aS)-5-amino-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-[(3aR,6aS)-2-(5-chloropyrazin-2-yl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]acetaldehyde;4-[5-[(3aS,6aR)-5-methyl-5-(2-oxoethyl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-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;ethanol;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-oxohydrazinyl)hydrazinylidene]azanide?
The IUPAC name of sodium;4-[5-[(3aR,6aS)-5-amino-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-[(3aR,6aS)-2-(5-chloropyrazin-2-yl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]acetaldehyde;4-[5-[(3aS,6aR)-5-methyl-5-(2-oxoethyl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-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;ethanol;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-oxohydrazinyl)hydrazinylidene]azanide (CID 164951162) is sodium;4-[5-[(3aR,6aS)-5-amino-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-[(3aR,6aS)-2-(5-chloropyrazin-2-yl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]acetaldehyde;4-[5-[(3aS,6aR)-5-methyl-5-(2-oxoethyl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-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;ethanol;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-oxohydrazinyl)hydrazinylidene]azanide.
What is the SMILES notation for sodium;4-[5-[(3aR,6aS)-5-amino-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-[(3aR,6aS)-2-(5-chloropyrazin-2-yl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]acetaldehyde;4-[5-[(3aS,6aR)-5-methyl-5-(2-oxoethyl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-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;ethanol;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-oxohydrazinyl)hydrazinylidene]azanide?
The canonical SMILES for sodium;4-[5-[(3aR,6aS)-5-amino-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-[(3aR,6aS)-2-(5-chloropyrazin-2-yl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]acetaldehyde;4-[5-[(3aS,6aR)-5-methyl-5-(2-oxoethyl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-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;ethanol;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-oxohydrazinyl)hydrazinylidene]azanide is CC(C)(O)COc1cc(-c2cnc(N3C[C@@H]4CC(C)(CC=O)C[C@@H]4C3)cn2)c2c(C#N)cnn2c1.CC(C)(O)COc1cc(-c2cnc(N3C[C@@H]4CC(C)(N)C[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.CC1(CC=O)C[C@H]2CN(c3cnc(Cl)cn3)C[C@H]2C1.CCO.[N-]=NNNN=O.[Na+].
What is the InChIKey of sodium;4-[5-[(3aR,6aS)-5-amino-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-[(3aR,6aS)-2-(5-chloropyrazin-2-yl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]acetaldehyde;4-[5-[(3aS,6aR)-5-methyl-5-(2-oxoethyl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-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;ethanol;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-oxohydrazinyl)hydrazinylidene]azanide?
The InChIKey is XZIVSZVWEGARMJ-SJJOFZBOSA-N. The full InChI is InChI=1S/C26H30N6O3.C24H29N7O2.C18H24BN3O4.C14H18ClN3O.C12H12BrN3O2.C2H6O.H2N5O.Na/c1-25(2,34)16-35-20-6-21(24-19(9-27)10-30-32(24)15-20)22-11-29-23(12-28-22)31-13-17-7-26(3,4-5-33)8-18(17)14-31;1-23(2,32)14-33-18-4-19(22-17(7-25)8-29-31(22)13-18)20-9-28-21(10-27-20)30-11-15-5-24(3,26)6-16(15)12-30;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;1-14(2-3-19)4-10-8-18(9-11(10)5-14)13-7-16-12(15)6-17-13;1-12(2,17)7-18-9-3-10(13)11-8(4-14)5-15-16(11)6-9;1-2-3;1-2-3-4-5-6;/h5-6,10-12,15,17-18,34H,4,7-8,13-14,16H2,1-3H3;4,8-10,13,15-16,32H,5-6,11-12,14,26H2,1-3H3;7,9-10,23H,11H2,1-6H3;3,6-7,10-11H,2,4-5,8-9H2,1H3;3,5-6,17H,7H2,1-2H3;3H,2H2,1H3;(H2-,1,2,3,4,5,6);/q;;;;;;-1;+1/t17-,18+,26?;15-,16+,24?;;10-,11+,14?;;;;.
What are the key properties of sodium;4-[5-[(3aR,6aS)-5-amino-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-[(3aR,6aS)-2-(5-chloropyrazin-2-yl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]acetaldehyde;4-[5-[(3aS,6aR)-5-methyl-5-(2-oxoethyl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-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;ethanol;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-oxohydrazinyl)hydrazinylidene]azanide?
sodium;4-[5-[(3aR,6aS)-5-amino-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-[(3aR,6aS)-2-(5-chloropyrazin-2-yl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]acetaldehyde;4-[5-[(3aS,6aR)-5-methyl-5-(2-oxoethyl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-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;ethanol;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-oxohydrazinyl)hydrazinylidene]azanide has a molecular weight of 2026.36 g/mol, XLogP of 8.68, 25 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-[5-[(3aR,6aS)-5-amino-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]pyrazin-2-yl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;2-[(3aR,6aS)-2-(5-chloropyrazin-2-yl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]acetaldehyde;4-[5-[(3aS,6aR)-5-methyl-5-(2-oxoethyl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-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;ethanol;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-oxohydrazinyl)hydrazinylidene]azanide is sourced from PubChem (CID 164951162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).