5-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]thiophene-2-carboxamide

C25H29N5OS — CID 156826640

About 5-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]thiophene-2-carboxamide

5-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]thiophene-2-carboxamide (PubChem CID 156826640) has the molecular formula C25H29N5OS and a molecular weight of 447.61 g/mol. Its IUPAC name is 5-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]thiophene-2-carboxamide
• PubChem CID: 156826640
• Molecular Formula: C25H29N5OS
• Molecular Weight: 447.61 g/mol
• Exact Mass: 447.21
• IUPAC Name: 5-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]thiophene-2-carboxamide
• SMILES: CCc1nc(N2CC3CC3C2)ccc1Cc1ccc(C(=O)N[C@@H]2CCc3c2ncn3C)s1
• InChI: InChI=1S/C25H29N5OS/c1-3-19-15(4-9-23(27-19)30-12-16-10-17(16)13-30)11-18-5-8-22(32-18)25(31)28-20-6-7-21-24(20)26-14-29(21)2/h4-5,8-9,14,16-17,20H,3,6-7,10-13H2,1-2H3,(H,28,31)/t16?,17?,20-/m1/s1
• InChIKey: GZORNTWLUAAMDJ-LBXVMSDZSA-N
• XLogP: 3.90
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.61
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]thiophene-2-carboxamide?

The IUPAC name of 5-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]thiophene-2-carboxamide (CID 156826640) is 5-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]thiophene-2-carboxamide.

What is the SMILES notation for 5-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]thiophene-2-carboxamide?

The canonical SMILES for 5-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]thiophene-2-carboxamide is CCc1nc(N2CC3CC3C2)ccc1Cc1ccc(C(=O)N[C@@H]2CCc3c2ncn3C)s1.

What is the InChIKey of 5-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]thiophene-2-carboxamide?

The InChIKey is GZORNTWLUAAMDJ-LBXVMSDZSA-N. The full InChI is InChI=1S/C25H29N5OS/c1-3-19-15(4-9-23(27-19)30-12-16-10-17(16)13-30)11-18-5-8-22(32-18)25(31)28-20-6-7-21-24(20)26-14-29(21)2/h4-5,8-9,14,16-17,20H,3,6-7,10-13H2,1-2H3,(H,28,31)/t16?,17?,20-/m1/s1.

What are the key properties of 5-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]thiophene-2-carboxamide?

5-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]thiophene-2-carboxamide has a molecular weight of 447.61 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]thiophene-2-carboxamide is sourced from PubChem (CID 156826640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).