4-[(1-methylindol-3-yl)methyl]-2-pentan-2-ylphthalazin-1-one

C23H25N3O — CID 129171028

IUPAC4-[(1-methylindol-3-yl)methyl]-2-pentan-2-ylphthalazin-1-one
SMILESCCCC(C)n1nc(Cc2cn(C)c3ccccc23)c2ccccc2c1=O
InChIInChI=1S/C23H25N3O/c1-4-9-16(2)26-23(27)20-12-6-5-11-19(20)21(24-26)14-17-15-25(3)22-13-8-7-10-18(17)22/h5-8,10-13,15-16H,4,9,14H2,1-3H3
InChIKeyDMCYHHJHILDOMY-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.84
Rot. Bonds5

About 4-[(1-methylindol-3-yl)methyl]-2-pentan-2-ylphthalazin-1-one

4-[(1-methylindol-3-yl)methyl]-2-pentan-2-ylphthalazin-1-one (PubChem CID 129171028) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-[(1-methylindol-3-yl)methyl]-2-pentan-2-ylphthalazin-1-one.

Molecular Properties

Compound Name4-[(1-methylindol-3-yl)methyl]-2-pentan-2-ylphthalazin-1-one
PubChem CID129171028
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name4-[(1-methylindol-3-yl)methyl]-2-pentan-2-ylphthalazin-1-one
SMILESCCCC(C)n1nc(Cc2cn(C)c3ccccc23)c2ccccc2c1=O
InChIInChI=1S/C23H25N3O/c1-4-9-16(2)26-23(27)20-12-6-5-11-19(20)21(24-26)14-17-15-25(3)22-13-8-7-10-18(17)22/h5-8,10-13,15-16H,4,9,14H2,1-3H3
InChIKeyDMCYHHJHILDOMY-UHFFFAOYSA-N
XLogP4.84
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylindol-3-yl)methyl]-2-pentan-2-ylphthalazin-1-one?
The IUPAC name of 4-[(1-methylindol-3-yl)methyl]-2-pentan-2-ylphthalazin-1-one (CID 129171028) is 4-[(1-methylindol-3-yl)methyl]-2-pentan-2-ylphthalazin-1-one.
What is the SMILES notation for 4-[(1-methylindol-3-yl)methyl]-2-pentan-2-ylphthalazin-1-one?
The canonical SMILES for 4-[(1-methylindol-3-yl)methyl]-2-pentan-2-ylphthalazin-1-one is CCCC(C)n1nc(Cc2cn(C)c3ccccc23)c2ccccc2c1=O.
What is the InChIKey of 4-[(1-methylindol-3-yl)methyl]-2-pentan-2-ylphthalazin-1-one?
The InChIKey is DMCYHHJHILDOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-4-9-16(2)26-23(27)20-12-6-5-11-19(20)21(24-26)14-17-15-25(3)22-13-8-7-10-18(17)22/h5-8,10-13,15-16H,4,9,14H2,1-3H3.
What are the key properties of 4-[(1-methylindol-3-yl)methyl]-2-pentan-2-ylphthalazin-1-one?
4-[(1-methylindol-3-yl)methyl]-2-pentan-2-ylphthalazin-1-one has a molecular weight of 359.47 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylindol-3-yl)methyl]-2-pentan-2-ylphthalazin-1-one is sourced from PubChem (CID 129171028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).