2-[4-[(4R)-2-(7-cyano-3-fluoropyrazolo[1,5-a]pyridin-4-yl)-4-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-8-yl]piperidin-1-yl]acetamide

C26H27FN8O — CID 167483358

About 2-[4-[(4R)-2-(7-cyano-3-fluoropyrazolo[1,5-a]pyridin-4-yl)-4-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-8-yl]piperidin-1-yl]acetamide

2-[4-[(4R)-2-(7-cyano-3-fluoropyrazolo[1,5-a]pyridin-4-yl)-4-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-8-yl]piperidin-1-yl]acetamide (PubChem CID 167483358) has the molecular formula C26H27FN8O and a molecular weight of 486.56 g/mol. Its IUPAC name is 2-[4-[(4R)-2-(7-cyano-3-fluoropyrazolo[1,5-a]pyridin-4-yl)-4-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-8-yl]piperidin-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[(4R)-2-(7-cyano-3-fluoropyrazolo[1,5-a]pyridin-4-yl)-4-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-8-yl]piperidin-1-yl]acetamide
• PubChem CID: 167483358
• Molecular Formula: C26H27FN8O
• Molecular Weight: 486.56 g/mol
• Exact Mass: 486.23
• IUPAC Name: 2-[4-[(4R)-2-(7-cyano-3-fluoropyrazolo[1,5-a]pyridin-4-yl)-4-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-8-yl]piperidin-1-yl]acetamide
• SMILES: C[C@@H]1CN(c2ccc(C#N)n3ncc(F)c23)Cc2c3ccc(C4CCN(CC(N)=O)CC4)cc3nn21
• InChI: InChI=1S/C26H27FN8O/c1-16-13-33(23-5-3-19(11-28)35-26(23)21(27)12-30-35)14-24-20-4-2-18(10-22(20)31-34(16)24)17-6-8-32(9-7-17)15-25(29)36/h2-5,10,12,16-17H,6-9,13-15H2,1H3,(H2,29,36)/t16-/m1/s1
• InChIKey: IZYNINDSBKREOD-MRXNPFEDSA-N
• XLogP: 2.94
• TPSA: 108.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.56
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4R)-2-(7-cyano-3-fluoropyrazolo[1,5-a]pyridin-4-yl)-4-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-8-yl]piperidin-1-yl]acetamide?

The IUPAC name of 2-[4-[(4R)-2-(7-cyano-3-fluoropyrazolo[1,5-a]pyridin-4-yl)-4-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-8-yl]piperidin-1-yl]acetamide (CID 167483358) is 2-[4-[(4R)-2-(7-cyano-3-fluoropyrazolo[1,5-a]pyridin-4-yl)-4-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-8-yl]piperidin-1-yl]acetamide.

What is the SMILES notation for 2-[4-[(4R)-2-(7-cyano-3-fluoropyrazolo[1,5-a]pyridin-4-yl)-4-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-8-yl]piperidin-1-yl]acetamide?

The canonical SMILES for 2-[4-[(4R)-2-(7-cyano-3-fluoropyrazolo[1,5-a]pyridin-4-yl)-4-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-8-yl]piperidin-1-yl]acetamide is C[C@@H]1CN(c2ccc(C#N)n3ncc(F)c23)Cc2c3ccc(C4CCN(CC(N)=O)CC4)cc3nn21.

What is the InChIKey of 2-[4-[(4R)-2-(7-cyano-3-fluoropyrazolo[1,5-a]pyridin-4-yl)-4-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-8-yl]piperidin-1-yl]acetamide?

The InChIKey is IZYNINDSBKREOD-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H27FN8O/c1-16-13-33(23-5-3-19(11-28)35-26(23)21(27)12-30-35)14-24-20-4-2-18(10-22(20)31-34(16)24)17-6-8-32(9-7-17)15-25(29)36/h2-5,10,12,16-17H,6-9,13-15H2,1H3,(H2,29,36)/t16-/m1/s1.

What are the key properties of 2-[4-[(4R)-2-(7-cyano-3-fluoropyrazolo[1,5-a]pyridin-4-yl)-4-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-8-yl]piperidin-1-yl]acetamide?

2-[4-[(4R)-2-(7-cyano-3-fluoropyrazolo[1,5-a]pyridin-4-yl)-4-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-8-yl]piperidin-1-yl]acetamide has a molecular weight of 486.56 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(4R)-2-(7-cyano-3-fluoropyrazolo[1,5-a]pyridin-4-yl)-4-methyl-3,4-dihydro-1H-pyrazino[1,2-b]indazol-8-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 167483358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).