2-[(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-methylphthalazin-1-one

C19H14N6O2 — CID 72938548

IUPAC2-[(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-methylphthalazin-1-one
SMILESCc1nn(Cc2nc(-c3cn4ccccc4n3)no2)c(=O)c2ccccc12
InChIInChI=1S/C19H14N6O2/c1-12-13-6-2-3-7-14(13)19(26)25(22-12)11-17-21-18(23-27-17)15-10-24-9-5-4-8-16(24)20-15/h2-10H,11H2,1H3
InChIKeyXEVQNBZJARCPHI-UHFFFAOYSA-N
MW358.36 g/mol
LogP2.45
Rot. Bonds3

About 2-[(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-methylphthalazin-1-one

2-[(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-methylphthalazin-1-one (PubChem CID 72938548) has the molecular formula C19H14N6O2 and a molecular weight of 358.36 g/mol. Its IUPAC name is 2-[(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-methylphthalazin-1-one.

Molecular Properties

Compound Name2-[(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-methylphthalazin-1-one
PubChem CID72938548
Molecular FormulaC19H14N6O2
Molecular Weight358.36 g/mol
Exact Mass358.12
IUPAC Name2-[(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-methylphthalazin-1-one
SMILESCc1nn(Cc2nc(-c3cn4ccccc4n3)no2)c(=O)c2ccccc12
InChIInChI=1S/C19H14N6O2/c1-12-13-6-2-3-7-14(13)19(26)25(22-12)11-17-21-18(23-27-17)15-10-24-9-5-4-8-16(24)20-15/h2-10H,11H2,1H3
InChIKeyXEVQNBZJARCPHI-UHFFFAOYSA-N
XLogP2.45
TPSA91.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-methylphthalazin-1-one with MolForge

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Related Compounds

4-methyl-2-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]phthalazin-1-one
CID 97437342
2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]phthalazin-1-one
CID 47009329
3-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2,3-benzotriazin-4-one
CID 9354090
3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxophthalazine-1-carboxylic acid
CID 16610988
2-(2-aminoethyl)-4-methylphthalazin-1-one
CID 121199498
(4R)-4-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 97452777
4-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 72910573
4-methyl-2-(pyridin-1-ium-2-ylmethyl)phthalazin-1-one chloride
CID 110188168
2-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(3,4-dimethylphenyl)phthalazin-1-one
CID 50819524
1-[4-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-methoxyethanone
CID 72941150
5,6-dimethyl-3-oxo-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridazine-4-carbonitrile
CID 9380342
4-methyl-2-(2-oxopropyl)phthalazin-1-one
CID 58973560

Frequently Asked Questions

What is the IUPAC name of 2-[(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-methylphthalazin-1-one?
The IUPAC name of 2-[(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-methylphthalazin-1-one (CID 72938548) is 2-[(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-methylphthalazin-1-one.
What is the SMILES notation for 2-[(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-methylphthalazin-1-one?
The canonical SMILES for 2-[(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-methylphthalazin-1-one is Cc1nn(Cc2nc(-c3cn4ccccc4n3)no2)c(=O)c2ccccc12.
What is the InChIKey of 2-[(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-methylphthalazin-1-one?
The InChIKey is XEVQNBZJARCPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O2/c1-12-13-6-2-3-7-14(13)19(26)25(22-12)11-17-21-18(23-27-17)15-10-24-9-5-4-8-16(24)20-15/h2-10H,11H2,1H3.
What are the key properties of 2-[(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-methylphthalazin-1-one?
2-[(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-methylphthalazin-1-one has a molecular weight of 358.36 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-methylphthalazin-1-one is sourced from PubChem (CID 72938548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).