N-[(3R,3aR,5R,6aR)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide

C30H32N8O4 — CID 163209170

About N-[(3R,3aR,5R,6aR)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide

N-[(3R,3aR,5R,6aR)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide (PubChem CID 163209170) has the molecular formula C30H32N8O4 and a molecular weight of 568.64 g/mol. Its IUPAC name is N-[(3R,3aR,5R,6aR)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3R,3aR,5R,6aR)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide
• PubChem CID: 163209170
• Molecular Formula: C30H32N8O4
• Molecular Weight: 568.64 g/mol
• Exact Mass: 568.25
• IUPAC Name: N-[(3R,3aR,5R,6aR)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide
• SMILES: COc1ccc(C(=O)N[C@@H]2C[C@H]3CN[C@@H](c4cnc(-c5cc(OCC(C)(C)O)cn6ncc(C#N)c56)cn4)[C@@H]3C2)cn1
• InChI: InChI=1S/C30H32N8O4/c1-30(2,40)16-42-21-8-23(28-19(9-31)12-36-38(28)15-21)24-13-33-25(14-32-24)27-22-7-20(6-18(22)11-35-27)37-29(39)17-4-5-26(41-3)34-10-17/h4-5,8,10,12-15,18,20,22,27,35,40H,6-7,11,16H2,1-3H3,(H,37,39)/t18-,20+,22+,27+/m0/s1
• InChIKey: ZURAQDWRUIRWGW-ZIQWTLAOSA-N
• XLogP: 2.69
• TPSA: 159.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.64
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[(3R,3aR,5R,6aR)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide?

The IUPAC name of N-[(3R,3aR,5R,6aR)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide (CID 163209170) is N-[(3R,3aR,5R,6aR)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide.

What is the SMILES notation for N-[(3R,3aR,5R,6aR)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide?

The canonical SMILES for N-[(3R,3aR,5R,6aR)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide is COc1ccc(C(=O)N[C@@H]2C[C@H]3CN[C@@H](c4cnc(-c5cc(OCC(C)(C)O)cn6ncc(C#N)c56)cn4)[C@@H]3C2)cn1.

What is the InChIKey of N-[(3R,3aR,5R,6aR)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide?

The InChIKey is ZURAQDWRUIRWGW-ZIQWTLAOSA-N. The full InChI is InChI=1S/C30H32N8O4/c1-30(2,40)16-42-21-8-23(28-19(9-31)12-36-38(28)15-21)24-13-33-25(14-32-24)27-22-7-20(6-18(22)11-35-27)37-29(39)17-4-5-26(41-3)34-10-17/h4-5,8,10,12-15,18,20,22,27,35,40H,6-7,11,16H2,1-3H3,(H,37,39)/t18-,20+,22+,27+/m0/s1.

What are the key properties of N-[(3R,3aR,5R,6aR)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide?

N-[(3R,3aR,5R,6aR)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide has a molecular weight of 568.64 g/mol, XLogP of 2.69, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R,3aR,5R,6aR)-3-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 163209170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).