2-[[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]methyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one

C26H29N7O2 — CID 159814997

About 2-[[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]methyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one

2-[[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]methyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one (PubChem CID 159814997) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is 2-[[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]methyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one.

Molecular Properties

• Compound Name: 2-[[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]methyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
• PubChem CID: 159814997
• Molecular Formula: C26H29N7O2
• Molecular Weight: 471.57 g/mol
• Exact Mass: 471.24
• IUPAC Name: 2-[[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]methyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
• SMILES: Nc1ccc2c(n1)CCC2CC(=O)c1cn(Cc2ccc(CN3CC4CCCN4C3=O)cc2)nn1
• InChI: InChI=1S/C26H29N7O2/c27-25-10-8-21-19(7-9-22(21)28-25)12-24(34)23-16-32(30-29-23)14-18-5-3-17(4-6-18)13-31-15-20-2-1-11-33(20)26(31)35/h3-6,8,10,16,19-20H,1-2,7,9,11-15H2,(H2,27,28)
• InChIKey: FJXDUWISVLGESP-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 110.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.57
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]methyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one?

The IUPAC name of 2-[[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]methyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one (CID 159814997) is 2-[[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]methyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one.

What is the SMILES notation for 2-[[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]methyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one?

The canonical SMILES for 2-[[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]methyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one is Nc1ccc2c(n1)CCC2CC(=O)c1cn(Cc2ccc(CN3CC4CCCN4C3=O)cc2)nn1.

What is the InChIKey of 2-[[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]methyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one?

The InChIKey is FJXDUWISVLGESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2/c27-25-10-8-21-19(7-9-22(21)28-25)12-24(34)23-16-32(30-29-23)14-18-5-3-17(4-6-18)13-31-15-20-2-1-11-33(20)26(31)35/h3-6,8,10,16,19-20H,1-2,7,9,11-15H2,(H2,27,28).

What are the key properties of 2-[[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]methyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one?

2-[[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]methyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one has a molecular weight of 471.57 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]methyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one is sourced from PubChem (CID 159814997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).