3-(2-methylpropyl)-4-oxo-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]phthalazine-1-carboxamide

C25H28N4O3 — CID 78868539

IUPAC3-(2-methylpropyl)-4-oxo-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]phthalazine-1-carboxamide
SMILESCC(C)Cn1nc(C(=O)NCc2cccc(CN3CCCC3=O)c2)c2ccccc2c1=O
InChIInChI=1S/C25H28N4O3/c1-17(2)15-29-25(32)21-10-4-3-9-20(21)23(27-29)24(31)26-14-18-7-5-8-19(13-18)16-28-12-6-11-22(28)30/h3-5,7-10,13,17H,6,11-12,14-16H2,1-2H3,(H,26,31)
InChIKeyFHKOAXNMRCAVPR-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.10
Rot. Bonds7

About 3-(2-methylpropyl)-4-oxo-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]phthalazine-1-carboxamide

3-(2-methylpropyl)-4-oxo-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]phthalazine-1-carboxamide (PubChem CID 78868539) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 3-(2-methylpropyl)-4-oxo-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]phthalazine-1-carboxamide.

Molecular Properties

Compound Name3-(2-methylpropyl)-4-oxo-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]phthalazine-1-carboxamide
PubChem CID78868539
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name3-(2-methylpropyl)-4-oxo-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]phthalazine-1-carboxamide
SMILESCC(C)Cn1nc(C(=O)NCc2cccc(CN3CCCC3=O)c2)c2ccccc2c1=O
InChIInChI=1S/C25H28N4O3/c1-17(2)15-29-25(32)21-10-4-3-9-20(21)23(27-29)24(31)26-14-18-7-5-8-19(13-18)16-28-12-6-11-22(28)30/h3-5,7-10,13,17H,6,11-12,14-16H2,1-2H3,(H,26,31)
InChIKeyFHKOAXNMRCAVPR-UHFFFAOYSA-N
XLogP3.10
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-methylpropyl)-4-oxo-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]phthalazine-1-carboxamide with MolForge

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Related Compounds

N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 55575710
1-[(3-methylphenyl)methyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 38387385
3-(2-methylpropyl)-4-oxo-N-(thiophen-2-ylmethyl)phthalazine-1-carboxamide
CID 9320304
2,5-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide
CID 86981622
N-(3,5-dimethylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 3944118
N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 78884282
2-methyl-1-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-propan-2-ylguanidine;hydroiodide
CID 111126304
3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxophthalazine-1-carboxamide
CID 55814512
5-amino-2-methyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 120621582
3-(2-methylpropyl)-4-oxo-N-[(4-propoxyphenyl)methyl]phthalazine-1-carboxamide
CID 52654082
N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 166182442
N-(3,5-difluorophenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 134061493

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-4-oxo-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]phthalazine-1-carboxamide?
The IUPAC name of 3-(2-methylpropyl)-4-oxo-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]phthalazine-1-carboxamide (CID 78868539) is 3-(2-methylpropyl)-4-oxo-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]phthalazine-1-carboxamide.
What is the SMILES notation for 3-(2-methylpropyl)-4-oxo-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]phthalazine-1-carboxamide?
The canonical SMILES for 3-(2-methylpropyl)-4-oxo-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]phthalazine-1-carboxamide is CC(C)Cn1nc(C(=O)NCc2cccc(CN3CCCC3=O)c2)c2ccccc2c1=O.
What is the InChIKey of 3-(2-methylpropyl)-4-oxo-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]phthalazine-1-carboxamide?
The InChIKey is FHKOAXNMRCAVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-17(2)15-29-25(32)21-10-4-3-9-20(21)23(27-29)24(31)26-14-18-7-5-8-19(13-18)16-28-12-6-11-22(28)30/h3-5,7-10,13,17H,6,11-12,14-16H2,1-2H3,(H,26,31).
What are the key properties of 3-(2-methylpropyl)-4-oxo-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]phthalazine-1-carboxamide?
3-(2-methylpropyl)-4-oxo-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]phthalazine-1-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-4-oxo-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]phthalazine-1-carboxamide is sourced from PubChem (CID 78868539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).