2-[1-[[2-chloro-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]triazol-4-yl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]acetamide

C22H23ClF2N8O — CID 166059269

About 2-[1-[[2-chloro-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]triazol-4-yl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]acetamide

2-[1-[[2-chloro-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]triazol-4-yl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]acetamide (PubChem CID 166059269) has the molecular formula C22H23ClF2N8O and a molecular weight of 488.93 g/mol. Its IUPAC name is 2-[1-[[2-chloro-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]triazol-4-yl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]acetamide.

Molecular Properties

• Compound Name: 2-[1-[[2-chloro-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]triazol-4-yl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]acetamide
• PubChem CID: 166059269
• Molecular Formula: C22H23ClF2N8O
• Molecular Weight: 488.93 g/mol
• Exact Mass: 488.17
• IUPAC Name: 2-[1-[[2-chloro-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]triazol-4-yl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]acetamide
• SMILES: Cn1cnc2c1CC[C@H]2NC(=O)Cc1cn(Cc2ccc(N3CC4C(C3)C4(F)F)nc2Cl)nn1
• InChI: InChI=1S/C22H23ClF2N8O/c1-31-11-26-20-16(3-4-17(20)31)27-19(34)6-13-8-33(30-29-13)7-12-2-5-18(28-21(12)23)32-9-14-15(10-32)22(14,24)25/h2,5,8,11,14-16H,3-4,6-7,9-10H2,1H3,(H,27,34)/t14?,15?,16-/m1/s1
• InChIKey: LUBIYSMGSIWJNQ-UYSNPLJNSA-N
• XLogP: 2.16
• TPSA: 93.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.93
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-chloro-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]triazol-4-yl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]acetamide?

The IUPAC name of 2-[1-[[2-chloro-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]triazol-4-yl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]acetamide (CID 166059269) is 2-[1-[[2-chloro-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]triazol-4-yl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]acetamide.

What is the SMILES notation for 2-[1-[[2-chloro-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]triazol-4-yl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]acetamide?

The canonical SMILES for 2-[1-[[2-chloro-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]triazol-4-yl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]acetamide is Cn1cnc2c1CC[C@H]2NC(=O)Cc1cn(Cc2ccc(N3CC4C(C3)C4(F)F)nc2Cl)nn1.

What is the InChIKey of 2-[1-[[2-chloro-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]triazol-4-yl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]acetamide?

The InChIKey is LUBIYSMGSIWJNQ-UYSNPLJNSA-N. The full InChI is InChI=1S/C22H23ClF2N8O/c1-31-11-26-20-16(3-4-17(20)31)27-19(34)6-13-8-33(30-29-13)7-12-2-5-18(28-21(12)23)32-9-14-15(10-32)22(14,24)25/h2,5,8,11,14-16H,3-4,6-7,9-10H2,1H3,(H,27,34)/t14?,15?,16-/m1/s1.

What are the key properties of 2-[1-[[2-chloro-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]triazol-4-yl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]acetamide?

2-[1-[[2-chloro-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]triazol-4-yl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]acetamide has a molecular weight of 488.93 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[[2-chloro-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]triazol-4-yl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]acetamide is sourced from PubChem (CID 166059269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).