N-[(3aR,6aS)-2-(5-chloropyrazin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide;N-[(3aS,6aR)-2-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide;4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C78H88BBrClN19O12 — CID 164989145

About N-[(3aR,6aS)-2-(5-chloropyrazin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide;N-[(3aS,6aR)-2-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide;4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

N-[(3aR,6aS)-2-(5-chloropyrazin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide;N-[(3aS,6aR)-2-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide;4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 164989145) has the molecular formula C78H88BBrClN19O12 and a molecular weight of 1609.85 g/mol. Its IUPAC name is N-[(3aR,6aS)-2-(5-chloropyrazin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide;N-[(3aS,6aR)-2-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide;4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: N-[(3aR,6aS)-2-(5-chloropyrazin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide;N-[(3aS,6aR)-2-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide;4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 164989145
• Molecular Formula: C78H88BBrClN19O12
• Molecular Weight: 1609.85 g/mol
• Exact Mass: 1607.58
• IUPAC Name: N-[(3aR,6aS)-2-(5-chloropyrazin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide;N-[(3aS,6aR)-2-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide;4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: CC(C)(O)COc1cc(B2OC(C)(C)C(C)(C)O2)c2c(C#N)cnn2c1.CC(C)(O)COc1cc(Br)c2c(C#N)cnn2c1.COc1ccc(C(=O)NC2C[C@@H]3CN(c4cnc(-c5cc(OCC(C)(C)O)cn6ncc(C#N)c56)cn4)C[C@@H]3C2)cn1.COc1ccc(C(=O)NC2C[C@@H]3CN(c4cnc(Cl)cn4)C[C@@H]3C2)cn1
• InChI: InChI=1S/C30H32N8O4.C18H24BN3O4.C18H20ClN5O2.C12H12BrN3O2/c1-30(2,40)17-42-23-8-24(28-21(9-31)11-35-38(28)16-23)25-12-33-26(13-32-25)37-14-19-6-22(7-20(19)15-37)36-29(39)18-4-5-27(41-3)34-10-18;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;1-26-17-3-2-11(6-22-17)18(25)23-14-4-12-9-24(10-13(12)5-14)16-8-20-15(19)7-21-16;1-12(2,17)7-18-9-3-10(13)11-8(4-14)5-15-16(11)6-9/h4-5,8,10-13,16,19-20,22,40H,6-7,14-15,17H2,1-3H3,(H,36,39);7,9-10,23H,11H2,1-6H3;2-3,6-8,12-14H,4-5,9-10H2,1H3,(H,23,25);3,5-6,17H,7H2,1-2H3/t19-,20+,22?;;12-,13+,14?
• InChIKey: GPKIMTXZZVBZKE-NFSZUUBJSA-N
• XLogP: 8.81
• TPSA: 390.59 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 19
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1609.85
LogP ≤ 5	8.81
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(3aR,6aS)-2-(5-chloropyrazin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide;N-[(3aS,6aR)-2-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide;4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of N-[(3aR,6aS)-2-(5-chloropyrazin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide;N-[(3aS,6aR)-2-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide;4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 164989145) is N-[(3aR,6aS)-2-(5-chloropyrazin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide;N-[(3aS,6aR)-2-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide;4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-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 N-[(3aR,6aS)-2-(5-chloropyrazin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide;N-[(3aS,6aR)-2-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide;4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for N-[(3aR,6aS)-2-(5-chloropyrazin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide;N-[(3aS,6aR)-2-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide;4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is CC(C)(O)COc1cc(B2OC(C)(C)C(C)(C)O2)c2c(C#N)cnn2c1.CC(C)(O)COc1cc(Br)c2c(C#N)cnn2c1.COc1ccc(C(=O)NC2C[C@@H]3CN(c4cnc(-c5cc(OCC(C)(C)O)cn6ncc(C#N)c56)cn4)C[C@@H]3C2)cn1.COc1ccc(C(=O)NC2C[C@@H]3CN(c4cnc(Cl)cn4)C[C@@H]3C2)cn1.

What is the InChIKey of N-[(3aR,6aS)-2-(5-chloropyrazin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide;N-[(3aS,6aR)-2-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide;4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is GPKIMTXZZVBZKE-NFSZUUBJSA-N. The full InChI is InChI=1S/C30H32N8O4.C18H24BN3O4.C18H20ClN5O2.C12H12BrN3O2/c1-30(2,40)17-42-23-8-24(28-21(9-31)11-35-38(28)16-23)25-12-33-26(13-32-25)37-14-19-6-22(7-20(19)15-37)36-29(39)18-4-5-27(41-3)34-10-18;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;1-26-17-3-2-11(6-22-17)18(25)23-14-4-12-9-24(10-13(12)5-14)16-8-20-15(19)7-21-16;1-12(2,17)7-18-9-3-10(13)11-8(4-14)5-15-16(11)6-9/h4-5,8,10-13,16,19-20,22,40H,6-7,14-15,17H2,1-3H3,(H,36,39);7,9-10,23H,11H2,1-6H3;2-3,6-8,12-14H,4-5,9-10H2,1H3,(H,23,25);3,5-6,17H,7H2,1-2H3/t19-,20+,22?;;12-,13+,14?;.

What are the key properties of N-[(3aR,6aS)-2-(5-chloropyrazin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide;N-[(3aS,6aR)-2-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide;4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

N-[(3aR,6aS)-2-(5-chloropyrazin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide;N-[(3aS,6aR)-2-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide;4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 1609.85 g/mol, XLogP of 8.81, 19 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3aR,6aS)-2-(5-chloropyrazin-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide;N-[(3aS,6aR)-2-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide;4-bromo-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(2-hydroxy-2-methylpropoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164989145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).