3-[3-(hydroxymethyl)-5-(methylaminomethyl)phenyl]-5-(1H-indol-2-yl)-1H-pyridazin-6-one

C21H20N4O2 — CID 135961887

IUPAC3-[3-(hydroxymethyl)-5-(methylaminomethyl)phenyl]-5-(1H-indol-2-yl)-1H-pyridazin-6-one
SMILESCNCc1cc(CO)cc(-c2cc(-c3cc4ccccc4[nH]3)c(=O)[nH]n2)c1
InChIInChI=1S/C21H20N4O2/c1-22-11-13-6-14(12-26)8-16(7-13)19-10-17(21(27)25-24-19)20-9-15-4-2-3-5-18(15)23-20/h2-10,22-23,26H,11-12H2,1H3,(H,25,27)
InChIKeyPPUZSSVOHHKXPT-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.80
Rot. Bonds5

About 3-[3-(hydroxymethyl)-5-(methylaminomethyl)phenyl]-5-(1H-indol-2-yl)-1H-pyridazin-6-one

3-[3-(hydroxymethyl)-5-(methylaminomethyl)phenyl]-5-(1H-indol-2-yl)-1H-pyridazin-6-one (PubChem CID 135961887) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)-5-(methylaminomethyl)phenyl]-5-(1H-indol-2-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)-5-(methylaminomethyl)phenyl]-5-(1H-indol-2-yl)-1H-pyridazin-6-one
PubChem CID135961887
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name3-[3-(hydroxymethyl)-5-(methylaminomethyl)phenyl]-5-(1H-indol-2-yl)-1H-pyridazin-6-one
SMILESCNCc1cc(CO)cc(-c2cc(-c3cc4ccccc4[nH]3)c(=O)[nH]n2)c1
InChIInChI=1S/C21H20N4O2/c1-22-11-13-6-14(12-26)8-16(7-13)19-10-17(21(27)25-24-19)20-9-15-4-2-3-5-18(15)23-20/h2-10,22-23,26H,11-12H2,1H3,(H,25,27)
InChIKeyPPUZSSVOHHKXPT-UHFFFAOYSA-N
XLogP2.80
TPSA93.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(methylaminomethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 142218394
5-(1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1H-pyridazin-6-one
CID 135961807
3-[5-(hydroxymethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 174398264
2-[3-(1H-indol-2-yl)phenyl]-N-methylethanamine
CID 54001818
[4-(1H-indol-2-yl)-2-phenyl-1H-imidazol-5-yl]methanol
CID 151497251
5-(5-propan-2-yl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one
CID 135508253
5-[5-[(dipropylamino)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one
CID 135961815
1-[5-[3-(1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 137114481
N-[[5-[3-(1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137114695
N-[2-(1H-indol-2-yl)phenyl]ethanesulfonamide
CID 3687205
N-[2-(1H-indol-2-yl)-5,8-dioxoquinolin-7-yl]acetamide
CID 71661701
3-[5-[[4-(2-hydroxyacetyl)piperazin-1-yl]methyl]-1H-indol-2-yl]-1H-quinolin-2-one;methanesulfonic acid
CID 10164597

Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxymethyl)-5-(methylaminomethyl)phenyl]-5-(1H-indol-2-yl)-1H-pyridazin-6-one?
The IUPAC name of 3-[3-(hydroxymethyl)-5-(methylaminomethyl)phenyl]-5-(1H-indol-2-yl)-1H-pyridazin-6-one (CID 135961887) is 3-[3-(hydroxymethyl)-5-(methylaminomethyl)phenyl]-5-(1H-indol-2-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-(hydroxymethyl)-5-(methylaminomethyl)phenyl]-5-(1H-indol-2-yl)-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-(hydroxymethyl)-5-(methylaminomethyl)phenyl]-5-(1H-indol-2-yl)-1H-pyridazin-6-one is CNCc1cc(CO)cc(-c2cc(-c3cc4ccccc4[nH]3)c(=O)[nH]n2)c1.
What is the InChIKey of 3-[3-(hydroxymethyl)-5-(methylaminomethyl)phenyl]-5-(1H-indol-2-yl)-1H-pyridazin-6-one?
The InChIKey is PPUZSSVOHHKXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-22-11-13-6-14(12-26)8-16(7-13)19-10-17(21(27)25-24-19)20-9-15-4-2-3-5-18(15)23-20/h2-10,22-23,26H,11-12H2,1H3,(H,25,27).
What are the key properties of 3-[3-(hydroxymethyl)-5-(methylaminomethyl)phenyl]-5-(1H-indol-2-yl)-1H-pyridazin-6-one?
3-[3-(hydroxymethyl)-5-(methylaminomethyl)phenyl]-5-(1H-indol-2-yl)-1H-pyridazin-6-one has a molecular weight of 360.42 g/mol, XLogP of 2.80, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxymethyl)-5-(methylaminomethyl)phenyl]-5-(1H-indol-2-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 135961887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).