2-methyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)phthalazin-1-one

C19H19N5O2 — CID 9254342

IUPAC2-methyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)phthalazin-1-one
SMILESCn1nc(C(=O)N2CCN(c3ccncc3)CC2)c2ccccc2c1=O
InChIInChI=1S/C19H19N5O2/c1-22-18(25)16-5-3-2-4-15(16)17(21-22)19(26)24-12-10-23(11-13-24)14-6-8-20-9-7-14/h2-9H,10-13H2,1H3
InChIKeyZZHKWMGFTHKVLP-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.29
Rot. Bonds2

About 2-methyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)phthalazin-1-one

2-methyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)phthalazin-1-one (PubChem CID 9254342) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-methyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)phthalazin-1-one.

Molecular Properties

Compound Name2-methyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)phthalazin-1-one
PubChem CID9254342
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name2-methyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)phthalazin-1-one
SMILESCn1nc(C(=O)N2CCN(c3ccncc3)CC2)c2ccccc2c1=O
InChIInChI=1S/C19H19N5O2/c1-22-18(25)16-5-3-2-4-15(16)17(21-22)19(26)24-12-10-23(11-13-24)14-6-8-20-9-7-14/h2-9H,10-13H2,1H3
InChIKeyZZHKWMGFTHKVLP-UHFFFAOYSA-N
XLogP1.29
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-[4-(5-methyl-3-pyridinyl)piperazine-1-carbonyl]phthalazin-1-one
CID 171630479
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one
CID 2683196
5-[4-(3-methyl-4-oxophthalazine-1-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 171631002
4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one
CID 171630603
4-[4-[3-(difluoromethoxy)-5-fluorophenyl]piperazine-1-carbonyl]-2-methylphthalazin-1-one
CID 171630598
4-[4-[3-fluoro-5-(trifluoromethoxy)phenyl]piperazine-1-carbonyl]-2-methylphthalazin-1-one
CID 171631032
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-4-ylphthalazin-1-one
CID 171630631
4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-methylphthalazin-1-one
CID 9148252
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one
CID 78781351
1H-indazol-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228509
4-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]-2-methylphthalazin-1-one
CID 2710661
naphthalen-1-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 31565762

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)phthalazin-1-one?
The IUPAC name of 2-methyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)phthalazin-1-one (CID 9254342) is 2-methyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)phthalazin-1-one.
What is the SMILES notation for 2-methyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)phthalazin-1-one?
The canonical SMILES for 2-methyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)phthalazin-1-one is Cn1nc(C(=O)N2CCN(c3ccncc3)CC2)c2ccccc2c1=O.
What is the InChIKey of 2-methyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)phthalazin-1-one?
The InChIKey is ZZHKWMGFTHKVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-22-18(25)16-5-3-2-4-15(16)17(21-22)19(26)24-12-10-23(11-13-24)14-6-8-20-9-7-14/h2-9H,10-13H2,1H3.
What are the key properties of 2-methyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)phthalazin-1-one?
2-methyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)phthalazin-1-one has a molecular weight of 349.39 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)phthalazin-1-one is sourced from PubChem (CID 9254342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).