1-(6,7-dimethoxyphthalazin-1-yl)-3-[(2-methylimidazol-1-yl)methyl]piperidin-3-ol

C20H25N5O3 — CID 24878474

IUPAC1-(6,7-dimethoxyphthalazin-1-yl)-3-[(2-methylimidazol-1-yl)methyl]piperidin-3-ol
SMILESCOc1cc2cnnc(N3CCCC(O)(Cn4ccnc4C)C3)c2cc1OC
InChIInChI=1S/C20H25N5O3/c1-14-21-6-8-24(14)12-20(26)5-4-7-25(13-20)19-16-10-18(28-3)17(27-2)9-15(16)11-22-23-19/h6,8-11,26H,4-5,7,12-13H2,1-3H3
InChIKeyXVIIHSQNYIDOKY-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.18
Rot. Bonds5

About 1-(6,7-dimethoxyphthalazin-1-yl)-3-[(2-methylimidazol-1-yl)methyl]piperidin-3-ol

1-(6,7-dimethoxyphthalazin-1-yl)-3-[(2-methylimidazol-1-yl)methyl]piperidin-3-ol (PubChem CID 24878474) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-(6,7-dimethoxyphthalazin-1-yl)-3-[(2-methylimidazol-1-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-(6,7-dimethoxyphthalazin-1-yl)-3-[(2-methylimidazol-1-yl)methyl]piperidin-3-ol
PubChem CID24878474
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name1-(6,7-dimethoxyphthalazin-1-yl)-3-[(2-methylimidazol-1-yl)methyl]piperidin-3-ol
SMILESCOc1cc2cnnc(N3CCCC(O)(Cn4ccnc4C)C3)c2cc1OC
InChIInChI=1S/C20H25N5O3/c1-14-21-6-8-24(14)12-20(26)5-4-7-25(13-20)19-16-10-18(28-3)17(27-2)9-15(16)11-22-23-19/h6,8-11,26H,4-5,7,12-13H2,1-3H3
InChIKeyXVIIHSQNYIDOKY-UHFFFAOYSA-N
XLogP2.18
TPSA85.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dimethoxyphthalazin-1-yl)-3-[(2-methylimidazol-1-yl)methyl]piperidin-3-ol?
The IUPAC name of 1-(6,7-dimethoxyphthalazin-1-yl)-3-[(2-methylimidazol-1-yl)methyl]piperidin-3-ol (CID 24878474) is 1-(6,7-dimethoxyphthalazin-1-yl)-3-[(2-methylimidazol-1-yl)methyl]piperidin-3-ol.
What is the SMILES notation for 1-(6,7-dimethoxyphthalazin-1-yl)-3-[(2-methylimidazol-1-yl)methyl]piperidin-3-ol?
The canonical SMILES for 1-(6,7-dimethoxyphthalazin-1-yl)-3-[(2-methylimidazol-1-yl)methyl]piperidin-3-ol is COc1cc2cnnc(N3CCCC(O)(Cn4ccnc4C)C3)c2cc1OC.
What is the InChIKey of 1-(6,7-dimethoxyphthalazin-1-yl)-3-[(2-methylimidazol-1-yl)methyl]piperidin-3-ol?
The InChIKey is XVIIHSQNYIDOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-14-21-6-8-24(14)12-20(26)5-4-7-25(13-20)19-16-10-18(28-3)17(27-2)9-15(16)11-22-23-19/h6,8-11,26H,4-5,7,12-13H2,1-3H3.
What are the key properties of 1-(6,7-dimethoxyphthalazin-1-yl)-3-[(2-methylimidazol-1-yl)methyl]piperidin-3-ol?
1-(6,7-dimethoxyphthalazin-1-yl)-3-[(2-methylimidazol-1-yl)methyl]piperidin-3-ol has a molecular weight of 383.45 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dimethoxyphthalazin-1-yl)-3-[(2-methylimidazol-1-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 24878474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).