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

C20H18N4O — CID 135508253

IUPAC5-(5-propan-2-yl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one
SMILESCC(C)c1ccc2[nH]c(-c3cc(-c4ccncc4)n[nH]c3=O)cc2c1
InChIInChI=1S/C20H18N4O/c1-12(2)14-3-4-17-15(9-14)10-19(22-17)16-11-18(23-24-20(16)25)13-5-7-21-8-6-13/h3-12,22H,1-2H3,(H,24,25)
InChIKeyRXEWVTXNDUXFLL-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.10
Rot. Bonds3

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

5-(5-propan-2-yl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one (PubChem CID 135508253) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-(5-propan-2-yl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(5-propan-2-yl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one
PubChem CID135508253
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name5-(5-propan-2-yl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one
SMILESCC(C)c1ccc2[nH]c(-c3cc(-c4ccncc4)n[nH]c3=O)cc2c1
InChIInChI=1S/C20H18N4O/c1-12(2)14-3-4-17-15(9-14)10-19(22-17)16-11-18(23-24-20(16)25)13-5-7-21-8-6-13/h3-12,22H,1-2H3,(H,24,25)
InChIKeyRXEWVTXNDUXFLL-UHFFFAOYSA-N
XLogP4.10
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[5-[(dipropylamino)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one
CID 135961815
(2S)-1-[[2-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)-1H-indol-5-yl]methyl]piperidine-2-carboxylic acid
CID 135961862
5-[6-[(1-propan-2-ylazocan-4-yl)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one
CID 143135785
5-[6-(morpholin-4-ylmethyl)-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one
CID 135687542
2-(4-chlorophenyl)-5-propan-2-yl-1H-indole
CID 131887091
5-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)-1H-indole
CID 59476288
5-(1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1H-pyridazin-6-one
CID 135961807
5-(3-cyclopropyl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one
CID 135961896
5-tert-butyl-2-pyridin-4-yl-1H-indole
CID 131887138
2-[[1H-indol-5-yl-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)methyl]-methylamino]acetic acid
CID 91086912
3-phenyl-6-(4-propan-2-ylphenyl)-4-pyridin-4-yl-1H-pyridin-2-one
CID 18467201
5-amino-3-pyridin-4-yl-1H-pyridazin-6-one;hydrate;hydrochloride
CID 20527782

Frequently Asked Questions

What is the IUPAC name of 5-(5-propan-2-yl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one?
The IUPAC name of 5-(5-propan-2-yl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one (CID 135508253) is 5-(5-propan-2-yl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one.
What is the SMILES notation for 5-(5-propan-2-yl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one?
The canonical SMILES for 5-(5-propan-2-yl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one is CC(C)c1ccc2[nH]c(-c3cc(-c4ccncc4)n[nH]c3=O)cc2c1.
What is the InChIKey of 5-(5-propan-2-yl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one?
The InChIKey is RXEWVTXNDUXFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-12(2)14-3-4-17-15(9-14)10-19(22-17)16-11-18(23-24-20(16)25)13-5-7-21-8-6-13/h3-12,22H,1-2H3,(H,24,25).
What are the key properties of 5-(5-propan-2-yl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one?
5-(5-propan-2-yl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one has a molecular weight of 330.39 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-propan-2-yl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one is sourced from PubChem (CID 135508253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).