4-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)amino]benzoyl]piperazin-1-yl]-N-methyl-4-oxobutanamide

C24H25FN6O4 — CID 71678997

IUPAC4-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)amino]benzoyl]piperazin-1-yl]-N-methyl-4-oxobutanamide
SMILESCNC(=O)CCC(=O)N1CCN(C(=O)c2cc(Nc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
InChIInChI=1S/C24H25FN6O4/c1-26-20(32)8-9-21(33)30-10-12-31(13-11-30)24(35)18-14-15(6-7-19(18)25)27-22-16-4-2-3-5-17(16)23(34)29-28-22/h2-7,14H,8-13H2,1H3,(H,26,32)(H,27,28)(H,29,34)
InChIKeyMHNQPCKLWQQCDD-UHFFFAOYSA-N
MW480.50 g/mol
LogP1.62
Rot. Bonds6

About 4-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)amino]benzoyl]piperazin-1-yl]-N-methyl-4-oxobutanamide

4-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)amino]benzoyl]piperazin-1-yl]-N-methyl-4-oxobutanamide (PubChem CID 71678997) has the molecular formula C24H25FN6O4 and a molecular weight of 480.50 g/mol. Its IUPAC name is 4-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)amino]benzoyl]piperazin-1-yl]-N-methyl-4-oxobutanamide.

Molecular Properties

Compound Name4-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)amino]benzoyl]piperazin-1-yl]-N-methyl-4-oxobutanamide
PubChem CID71678997
Molecular FormulaC24H25FN6O4
Molecular Weight480.50 g/mol
Exact Mass480.19
IUPAC Name4-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)amino]benzoyl]piperazin-1-yl]-N-methyl-4-oxobutanamide
SMILESCNC(=O)CCC(=O)N1CCN(C(=O)c2cc(Nc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
InChIInChI=1S/C24H25FN6O4/c1-26-20(32)8-9-21(33)30-10-12-31(13-11-30)24(35)18-14-15(6-7-19(18)25)27-22-16-4-2-3-5-17(16)23(34)29-28-22/h2-7,14H,8-13H2,1H3,(H,26,32)(H,27,28)(H,29,34)
InChIKeyMHNQPCKLWQQCDD-UHFFFAOYSA-N
XLogP1.62
TPSA127.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)amino]benzoyl]piperazin-1-yl]-N-methyl-4-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)oxy]benzoyl]piperazin-1-yl]-N-methyl-4-oxobutanamide
CID 141312130
4-[4-fluoro-3-[4-[3-(methylamino)propanoyl]piperazine-1-carbonyl]phenoxy]-2H-phthalazin-1-one
CID 71678482
4-[3-(4-propanoylpiperazine-1-carbonyl)anilino]-2H-phthalazin-1-one
CID 71680490
N-(2-acetamidoethyl)-5-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-5-oxopentanamide
CID 129147553
4-[[4-fluoro-3-[4-[2-(4-methylpiperazin-1-yl)acetyl]piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
CID 176580620
4-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
CID 11726399
2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoacetamide
CID 167751548
4-[[4-fluoro-3-[4-[3-(3-iodophenyl)propanoyl]piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
CID 118905690
6-[4-[2-fluoro-5-[(4-oxo-7-prop-1-ynyl-3H-phthalazin-1-yl)amino]benzoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 169220020
CID 176580894
CID 176580894
4-[[4-fluoro-3-[4-(4-methylbenzoyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
CID 130438657
4-[[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one
CID 23725625

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)amino]benzoyl]piperazin-1-yl]-N-methyl-4-oxobutanamide?
The IUPAC name of 4-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)amino]benzoyl]piperazin-1-yl]-N-methyl-4-oxobutanamide (CID 71678997) is 4-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)amino]benzoyl]piperazin-1-yl]-N-methyl-4-oxobutanamide.
What is the SMILES notation for 4-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)amino]benzoyl]piperazin-1-yl]-N-methyl-4-oxobutanamide?
The canonical SMILES for 4-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)amino]benzoyl]piperazin-1-yl]-N-methyl-4-oxobutanamide is CNC(=O)CCC(=O)N1CCN(C(=O)c2cc(Nc3n[nH]c(=O)c4ccccc34)ccc2F)CC1.
What is the InChIKey of 4-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)amino]benzoyl]piperazin-1-yl]-N-methyl-4-oxobutanamide?
The InChIKey is MHNQPCKLWQQCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O4/c1-26-20(32)8-9-21(33)30-10-12-31(13-11-30)24(35)18-14-15(6-7-19(18)25)27-22-16-4-2-3-5-17(16)23(34)29-28-22/h2-7,14H,8-13H2,1H3,(H,26,32)(H,27,28)(H,29,34).
What are the key properties of 4-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)amino]benzoyl]piperazin-1-yl]-N-methyl-4-oxobutanamide?
4-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)amino]benzoyl]piperazin-1-yl]-N-methyl-4-oxobutanamide has a molecular weight of 480.50 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)amino]benzoyl]piperazin-1-yl]-N-methyl-4-oxobutanamide is sourced from PubChem (CID 71678997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).