4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one

C20H21N5O3 — CID 171630603

IUPAC4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one
SMILESCOc1cccnc1N1CCN(C(=O)c2nn(C)c(=O)c3ccccc23)CC1
InChIInChI=1S/C20H21N5O3/c1-23-19(26)15-7-4-3-6-14(15)17(22-23)20(27)25-12-10-24(11-13-25)18-16(28-2)8-5-9-21-18/h3-9H,10-13H2,1-2H3
InChIKeyVVQBQESUZKVDLG-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.30
Rot. Bonds3

About 4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one

4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one (PubChem CID 171630603) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one.

Molecular Properties

Compound Name4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one
PubChem CID171630603
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one
SMILESCOc1cccnc1N1CCN(C(=O)c2nn(C)c(=O)c3ccccc23)CC1
InChIInChI=1S/C20H21N5O3/c1-23-19(26)15-7-4-3-6-14(15)17(22-23)20(27)25-12-10-24(11-13-25)18-16(28-2)8-5-9-21-18/h3-9H,10-13H2,1-2H3
InChIKeyVVQBQESUZKVDLG-UHFFFAOYSA-N
XLogP1.30
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethane;2-ethyl-4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phthalazin-1-one
CID 171631020
2-methyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)phthalazin-1-one
CID 9254342
1-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
CID 176933932
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methylphthalazin-1-one
CID 2457710
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
2-ethyl-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one
CID 26912236
2-ethyl-4-[4-(5-isocyano-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phthalazin-1-one
CID 172510491
2-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one
CID 3443205
4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-methylphthalazin-1-one
CID 9148252
4-[4-[3-(difluoromethoxy)-5-fluorophenyl]piperazine-1-carbonyl]-2-methylphthalazin-1-one
CID 171630598
2-[4-(3-butyl-4-oxophthalazine-1-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 99164422

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one?
The IUPAC name of 4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one (CID 171630603) is 4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one.
What is the SMILES notation for 4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one?
The canonical SMILES for 4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one is COc1cccnc1N1CCN(C(=O)c2nn(C)c(=O)c3ccccc23)CC1.
What is the InChIKey of 4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one?
The InChIKey is VVQBQESUZKVDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-23-19(26)15-7-4-3-6-14(15)17(22-23)20(27)25-12-10-24(11-13-25)18-16(28-2)8-5-9-21-18/h3-9H,10-13H2,1-2H3.
What are the key properties of 4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one?
4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one has a molecular weight of 379.42 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one is sourced from PubChem (CID 171630603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).