3-[[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one

C26H27N5O2 — CID 159287872

About 3-[[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one

3-[[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one (PubChem CID 159287872) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 3-[[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one.

Molecular Properties

• Compound Name: 3-[[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one
• PubChem CID: 159287872
• Molecular Formula: C26H27N5O2
• Molecular Weight: 441.54 g/mol
• Exact Mass: 441.22
• IUPAC Name: 3-[[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one
• SMILES: Nc1ccc2c(n1)CCC2CC(=O)c1cnn(Cc2ccc(CN3CC4CC4C3=O)cc2)c1
• InChI: InChI=1S/C26H27N5O2/c27-25-8-6-21-18(5-7-23(21)29-25)10-24(32)20-11-28-31(15-20)13-17-3-1-16(2-4-17)12-30-14-19-9-22(19)26(30)33/h1-4,6,8,11,15,18-19,22H,5,7,9-10,12-14H2,(H2,27,29)
• InChIKey: KZSWLAXCYJRYPN-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 94.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.54
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one?

The IUPAC name of 3-[[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one (CID 159287872) is 3-[[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one.

What is the SMILES notation for 3-[[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one?

The canonical SMILES for 3-[[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one is Nc1ccc2c(n1)CCC2CC(=O)c1cnn(Cc2ccc(CN3CC4CC4C3=O)cc2)c1.

What is the InChIKey of 3-[[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one?

The InChIKey is KZSWLAXCYJRYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c27-25-8-6-21-18(5-7-23(21)29-25)10-24(32)20-11-28-31(15-20)13-17-3-1-16(2-4-17)12-30-14-19-9-22(19)26(30)33/h1-4,6,8,11,15,18-19,22H,5,7,9-10,12-14H2,(H2,27,29).

What are the key properties of 3-[[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one?

3-[[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one has a molecular weight of 441.54 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]pyrazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 159287872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).