1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-ethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide

C24H29N7O — CID 156826403

About 1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-ethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide

1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-ethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide (PubChem CID 156826403) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is 1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-ethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-ethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide
• PubChem CID: 156826403
• Molecular Formula: C24H29N7O
• Molecular Weight: 431.54 g/mol
• Exact Mass: 431.24
• IUPAC Name: 1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-ethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide
• SMILES: CCc1nc(N2CC3(CC3)C2)ccc1Cn1cnc(C(=O)N[C@@H]2CCc3c2ncn3C)c1
• InChI: InChI=1S/C24H29N7O/c1-3-17-16(4-7-21(27-17)31-12-24(13-31)8-9-24)10-30-11-19(25-15-30)23(32)28-18-5-6-20-22(18)26-14-29(20)2/h4,7,11,14-15,18H,3,5-6,8-10,12-13H2,1-2H3,(H,28,32)/t18-/m1/s1
• InChIKey: LLTJCXJYENFVMX-GOSISDBHSA-N
• XLogP: 2.64
• TPSA: 80.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.54
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-ethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide?

The IUPAC name of 1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-ethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide (CID 156826403) is 1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-ethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide.

What is the SMILES notation for 1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-ethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide?

The canonical SMILES for 1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-ethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide is CCc1nc(N2CC3(CC3)C2)ccc1Cn1cnc(C(=O)N[C@@H]2CCc3c2ncn3C)c1.

What is the InChIKey of 1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-ethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide?

The InChIKey is LLTJCXJYENFVMX-GOSISDBHSA-N. The full InChI is InChI=1S/C24H29N7O/c1-3-17-16(4-7-21(27-17)31-12-24(13-31)8-9-24)10-30-11-19(25-15-30)23(32)28-18-5-6-20-22(18)26-14-29(20)2/h4,7,11,14-15,18H,3,5-6,8-10,12-13H2,1-2H3,(H,28,32)/t18-/m1/s1.

What are the key properties of 1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-ethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide?

1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-ethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-ethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide is sourced from PubChem (CID 156826403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).