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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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).