9-[(2-ethylpyrazol-3-yl)methyl]-2-[(5-methoxy-3-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-4-ol

C22H33N5O2 — CID 176506573

About 9-[(2-ethylpyrazol-3-yl)methyl]-2-[(5-methoxy-3-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-4-ol

9-[(2-ethylpyrazol-3-yl)methyl]-2-[(5-methoxy-3-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-4-ol (PubChem CID 176506573) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 9-[(2-ethylpyrazol-3-yl)methyl]-2-[(5-methoxy-3-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-4-ol.

Molecular Properties

• Compound Name: 9-[(2-ethylpyrazol-3-yl)methyl]-2-[(5-methoxy-3-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-4-ol
• PubChem CID: 176506573
• Molecular Formula: C22H33N5O2
• Molecular Weight: 399.54 g/mol
• Exact Mass: 399.26
• IUPAC Name: 9-[(2-ethylpyrazol-3-yl)methyl]-2-[(5-methoxy-3-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-4-ol
• SMILES: CCn1nccc1CN1CCC2(CC1)CC(O)CN(Cc1cncc(OC)c1)C2
• InChI: InChI=1S/C22H33N5O2/c1-3-27-19(4-7-24-27)15-25-8-5-22(6-9-25)11-20(28)16-26(17-22)14-18-10-21(29-2)13-23-12-18/h4,7,10,12-13,20,28H,3,5-6,8-9,11,14-17H2,1-2H3
• InChIKey: LMURPEXYCLIPDW-UHFFFAOYSA-N
• XLogP: 2.16
• TPSA: 66.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.54
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 9-[(2-ethylpyrazol-3-yl)methyl]-2-[(5-methoxy-3-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-4-ol?

The IUPAC name of 9-[(2-ethylpyrazol-3-yl)methyl]-2-[(5-methoxy-3-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-4-ol (CID 176506573) is 9-[(2-ethylpyrazol-3-yl)methyl]-2-[(5-methoxy-3-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-4-ol.

What is the SMILES notation for 9-[(2-ethylpyrazol-3-yl)methyl]-2-[(5-methoxy-3-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-4-ol?

The canonical SMILES for 9-[(2-ethylpyrazol-3-yl)methyl]-2-[(5-methoxy-3-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-4-ol is CCn1nccc1CN1CCC2(CC1)CC(O)CN(Cc1cncc(OC)c1)C2.

What is the InChIKey of 9-[(2-ethylpyrazol-3-yl)methyl]-2-[(5-methoxy-3-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-4-ol?

The InChIKey is LMURPEXYCLIPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O2/c1-3-27-19(4-7-24-27)15-25-8-5-22(6-9-25)11-20(28)16-26(17-22)14-18-10-21(29-2)13-23-12-18/h4,7,10,12-13,20,28H,3,5-6,8-9,11,14-17H2,1-2H3.

What are the key properties of 9-[(2-ethylpyrazol-3-yl)methyl]-2-[(5-methoxy-3-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-4-ol?

9-[(2-ethylpyrazol-3-yl)methyl]-2-[(5-methoxy-3-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-4-ol has a molecular weight of 399.54 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[(2-ethylpyrazol-3-yl)methyl]-2-[(5-methoxy-3-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-4-ol is sourced from PubChem (CID 176506573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).