[3-(1H-imidazol-2-ylmethyl)-9-[(3-methylpyrazin-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-5-yl]methanol

C20H30N6O — CID 74239602

About [3-(1H-imidazol-2-ylmethyl)-9-[(3-methylpyrazin-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-5-yl]methanol

[3-(1H-imidazol-2-ylmethyl)-9-[(3-methylpyrazin-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-5-yl]methanol (PubChem CID 74239602) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is [3-(1H-imidazol-2-ylmethyl)-9-[(3-methylpyrazin-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-5-yl]methanol.

Molecular Properties

• Compound Name: [3-(1H-imidazol-2-ylmethyl)-9-[(3-methylpyrazin-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-5-yl]methanol
• PubChem CID: 74239602
• Molecular Formula: C20H30N6O
• Molecular Weight: 370.50 g/mol
• Exact Mass: 370.25
• IUPAC Name: [3-(1H-imidazol-2-ylmethyl)-9-[(3-methylpyrazin-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-5-yl]methanol
• SMILES: Cc1nccnc1CN1CCC2(CC1)CCN(Cc1ncc[nH]1)CC2CO
• InChI: InChI=1S/C20H30N6O/c1-16-18(22-6-5-21-16)13-25-9-2-20(3-10-25)4-11-26(12-17(20)15-27)14-19-23-7-8-24-19/h5-8,17,27H,2-4,9-15H2,1H3,(H,23,24)
• InChIKey: LVGJQZVRTJJSLE-UHFFFAOYSA-N
• XLogP: 1.60
• TPSA: 81.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.50
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [3-(1H-imidazol-2-ylmethyl)-9-[(3-methylpyrazin-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-5-yl]methanol?

The IUPAC name of [3-(1H-imidazol-2-ylmethyl)-9-[(3-methylpyrazin-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-5-yl]methanol (CID 74239602) is [3-(1H-imidazol-2-ylmethyl)-9-[(3-methylpyrazin-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-5-yl]methanol.

What is the SMILES notation for [3-(1H-imidazol-2-ylmethyl)-9-[(3-methylpyrazin-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-5-yl]methanol?

The canonical SMILES for [3-(1H-imidazol-2-ylmethyl)-9-[(3-methylpyrazin-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-5-yl]methanol is Cc1nccnc1CN1CCC2(CC1)CCN(Cc1ncc[nH]1)CC2CO.

What is the InChIKey of [3-(1H-imidazol-2-ylmethyl)-9-[(3-methylpyrazin-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-5-yl]methanol?

The InChIKey is LVGJQZVRTJJSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-16-18(22-6-5-21-16)13-25-9-2-20(3-10-25)4-11-26(12-17(20)15-27)14-19-23-7-8-24-19/h5-8,17,27H,2-4,9-15H2,1H3,(H,23,24).

What are the key properties of [3-(1H-imidazol-2-ylmethyl)-9-[(3-methylpyrazin-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-5-yl]methanol?

[3-(1H-imidazol-2-ylmethyl)-9-[(3-methylpyrazin-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-5-yl]methanol has a molecular weight of 370.50 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(1H-imidazol-2-ylmethyl)-9-[(3-methylpyrazin-2-yl)methyl]-3,9-diazaspiro[5.5]undecan-5-yl]methanol is sourced from PubChem (CID 74239602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).