3-[(4,6-dimethylpyrimidin-2-yl)diazenyl]-1-(piperidin-1-ylmethyl)indol-2-ol

C20H24N6O — CID 3554621

IUPAC3-[(4,6-dimethylpyrimidin-2-yl)diazenyl]-1-(piperidin-1-ylmethyl)indol-2-ol
SMILESCc1cc(C)nc(/N=N/c2c(O)n(CN3CCCCC3)c3ccccc23)n1
InChIInChI=1S/C20H24N6O/c1-14-12-15(2)22-20(21-14)24-23-18-16-8-4-5-9-17(16)26(19(18)27)13-25-10-6-3-7-11-25/h4-5,8-9,12,27H,3,6-7,10-11,13H2,1-2H3/b24-23+
InChIKeyBIQRUSMXHKRYFJ-WCWDXBQESA-N
MW364.45 g/mol
LogP4.61
Rot. Bonds4

About 3-[(4,6-dimethylpyrimidin-2-yl)diazenyl]-1-(piperidin-1-ylmethyl)indol-2-ol

3-[(4,6-dimethylpyrimidin-2-yl)diazenyl]-1-(piperidin-1-ylmethyl)indol-2-ol (PubChem CID 3554621) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-[(4,6-dimethylpyrimidin-2-yl)diazenyl]-1-(piperidin-1-ylmethyl)indol-2-ol.

Molecular Properties

Compound Name3-[(4,6-dimethylpyrimidin-2-yl)diazenyl]-1-(piperidin-1-ylmethyl)indol-2-ol
PubChem CID3554621
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name3-[(4,6-dimethylpyrimidin-2-yl)diazenyl]-1-(piperidin-1-ylmethyl)indol-2-ol
SMILESCc1cc(C)nc(/N=N/c2c(O)n(CN3CCCCC3)c3ccccc23)n1
InChIInChI=1S/C20H24N6O/c1-14-12-15(2)22-20(21-14)24-23-18-16-8-4-5-9-17(16)26(19(18)27)13-25-10-6-3-7-11-25/h4-5,8-9,12,27H,3,6-7,10-11,13H2,1-2H3/b24-23+
InChIKeyBIQRUSMXHKRYFJ-WCWDXBQESA-N
XLogP4.61
TPSA78.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

3-[(4,6-dimethylpyrimidin-2-yl)diazenyl]-1-(2-methylpropyl)indol-2-ol
CID 135823984
[2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminourea
CID 4158642
N-[1-(azepan-1-ylmethyl)-2-hydroxyindol-3-yl]iminopyridine-4-carboxamide
CID 1366307
N-[1-(azepan-1-ylmethyl)-2-hydroxyindol-3-yl]iminopyridine-2-carboxamide
CID 2024237
1-[(4-methylpiperazin-1-yl)methyl]-3-phenyldiazenylindol-2-ol
CID 3292938
3-[(4-methylphenyl)diazenyl]-1-(morpholin-4-ylmethyl)indol-2-ol
CID 4311773
N-[1-(azepan-1-ylmethyl)-2-hydroxyindol-3-yl]imino-2-[(Z)-1-(4-methoxyphenyl)ethylideneamino]oxyacetamide
CID 135965740
N-[1-(azepan-1-ylmethyl)-2-hydroxyindol-3-yl]imino-2-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxyacetamide
CID 135526911
2-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]oxy-N-[2-hydroxy-1-(pyrrolidin-1-ylmethyl)indol-3-yl]iminoacetamide
CID 135543875
2-(4-acetamidophenoxy)-N-[2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminoacetamide
CID 135537774
1-[(2,6-dimethylmorpholin-4-yl)methyl]-3-phenyldiazenylindol-2-ol
CID 135689109
2-[(E)-benzylideneamino]oxy-N-[2-hydroxy-1-(pyrrolidin-1-ylmethyl)indol-3-yl]iminoacetamide
CID 135421185

Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimethylpyrimidin-2-yl)diazenyl]-1-(piperidin-1-ylmethyl)indol-2-ol?
The IUPAC name of 3-[(4,6-dimethylpyrimidin-2-yl)diazenyl]-1-(piperidin-1-ylmethyl)indol-2-ol (CID 3554621) is 3-[(4,6-dimethylpyrimidin-2-yl)diazenyl]-1-(piperidin-1-ylmethyl)indol-2-ol.
What is the SMILES notation for 3-[(4,6-dimethylpyrimidin-2-yl)diazenyl]-1-(piperidin-1-ylmethyl)indol-2-ol?
The canonical SMILES for 3-[(4,6-dimethylpyrimidin-2-yl)diazenyl]-1-(piperidin-1-ylmethyl)indol-2-ol is Cc1cc(C)nc(/N=N/c2c(O)n(CN3CCCCC3)c3ccccc23)n1.
What is the InChIKey of 3-[(4,6-dimethylpyrimidin-2-yl)diazenyl]-1-(piperidin-1-ylmethyl)indol-2-ol?
The InChIKey is BIQRUSMXHKRYFJ-WCWDXBQESA-N. The full InChI is InChI=1S/C20H24N6O/c1-14-12-15(2)22-20(21-14)24-23-18-16-8-4-5-9-17(16)26(19(18)27)13-25-10-6-3-7-11-25/h4-5,8-9,12,27H,3,6-7,10-11,13H2,1-2H3/b24-23+.
What are the key properties of 3-[(4,6-dimethylpyrimidin-2-yl)diazenyl]-1-(piperidin-1-ylmethyl)indol-2-ol?
3-[(4,6-dimethylpyrimidin-2-yl)diazenyl]-1-(piperidin-1-ylmethyl)indol-2-ol has a molecular weight of 364.45 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethylpyrimidin-2-yl)diazenyl]-1-(piperidin-1-ylmethyl)indol-2-ol is sourced from PubChem (CID 3554621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).