5-(1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1H-pyridazin-6-one

C16H13N5O — CID 135961807

IUPAC5-(1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1H-pyridazin-6-one
SMILESCn1cc(-c2cc(-c3cc4ccccc4[nH]3)c(=O)[nH]n2)cn1
InChIInChI=1S/C16H13N5O/c1-21-9-11(8-17-21)14-7-12(16(22)20-19-14)15-6-10-4-2-3-5-13(10)18-15/h2-9,18H,1H3,(H,20,22)
InChIKeySPYABDZZKBFRGC-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.32
Rot. Bonds2

About 5-(1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1H-pyridazin-6-one

5-(1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1H-pyridazin-6-one (PubChem CID 135961807) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 5-(1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1H-pyridazin-6-one
PubChem CID135961807
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name5-(1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1H-pyridazin-6-one
SMILESCn1cc(-c2cc(-c3cc4ccccc4[nH]3)c(=O)[nH]n2)cn1
InChIInChI=1S/C16H13N5O/c1-21-9-11(8-17-21)14-7-12(16(22)20-19-14)15-6-10-4-2-3-5-13(10)18-15/h2-9,18H,1H3,(H,20,22)
InChIKeySPYABDZZKBFRGC-UHFFFAOYSA-N
XLogP2.32
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(hydroxymethyl)-5-(methylaminomethyl)phenyl]-5-(1H-indol-2-yl)-1H-pyridazin-6-one
CID 135961887
CID 87602032
CID 87602032
5-(5-propan-2-yl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one
CID 135508253
6-methyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one
CID 106515852
4-methyl-6-(1-methylpyrazol-4-yl)-1H-pyrido[2,3-b]pyrazine-2,3-dione
CID 135388663
[2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazol-5-yl]phenyl]methanol
CID 175348065
5-[5-[3-(1-methylpyrazol-4-yl)indol-1-yl]-6-oxo-1H-pyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 136655262
2-[3-(5-methoxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole
CID 137041381
3-(5-amino-1H-indol-2-yl)-1H-quinolin-2-one
CID 22668309
1-methyl-4-naphthalen-1-ylpyrazole
CID 97034296
3-(1-methylpyrazol-4-yl)-1H-indole
CID 118064780
methyl 3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxylate
CID 86207960

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1H-pyridazin-6-one?
The IUPAC name of 5-(1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1H-pyridazin-6-one (CID 135961807) is 5-(1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-(1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1H-pyridazin-6-one?
The canonical SMILES for 5-(1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1H-pyridazin-6-one is Cn1cc(-c2cc(-c3cc4ccccc4[nH]3)c(=O)[nH]n2)cn1.
What is the InChIKey of 5-(1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1H-pyridazin-6-one?
The InChIKey is SPYABDZZKBFRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-21-9-11(8-17-21)14-7-12(16(22)20-19-14)15-6-10-4-2-3-5-13(10)18-15/h2-9,18H,1H3,(H,20,22).
What are the key properties of 5-(1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1H-pyridazin-6-one?
5-(1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1H-pyridazin-6-one has a molecular weight of 291.31 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 135961807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).