4-[4-(4-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one

C22H25N5O2 — CID 139008351

IUPAC4-[4-(4-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one
SMILESCc1ccnc(N2CCN(C(=O)c3nn(C(C)C)c(=O)c4ccccc34)CC2)c1
InChIInChI=1S/C22H25N5O2/c1-15(2)27-21(28)18-7-5-4-6-17(18)20(24-27)22(29)26-12-10-25(11-13-26)19-14-16(3)8-9-23-19/h4-9,14-15H,10-13H2,1-3H3
InChIKeyVXJBPRRYYVHFEH-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.64
Rot. Bonds3

About 4-[4-(4-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one

4-[4-(4-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one (PubChem CID 139008351) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 4-[4-(4-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one.

Molecular Properties

Compound Name4-[4-(4-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one
PubChem CID139008351
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name4-[4-(4-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one
SMILESCc1ccnc(N2CCN(C(=O)c3nn(C(C)C)c(=O)c4ccccc34)CC2)c1
InChIInChI=1S/C22H25N5O2/c1-15(2)27-21(28)18-7-5-4-6-17(18)20(24-27)22(29)26-12-10-25(11-13-26)19-14-16(3)8-9-23-19/h4-9,14-15H,10-13H2,1-3H3
InChIKeyVXJBPRRYYVHFEH-UHFFFAOYSA-N
XLogP2.64
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-propan-2-yl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)phthalazin-1-one
CID 138999284
2-propan-2-yl-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phthalazin-1-one
CID 51306307
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one
CID 78781351
4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one
CID 2528308
4-(4-methyl-1,4-diazepane-1-carbonyl)-2-propan-2-ylphthalazin-1-one
CID 78769386
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 86898044
N-(4-methyl-2-pyridinyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 78794453
2-propan-2-yl-4-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]phthalazin-1-one
CID 51262953
4-(4-benzhydrylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one
CID 51545065
1-morpholin-4-yl-2-[4-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 55447504
4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one
CID 78848532
4-[4-(4-fluorophenyl)-1,4-diazepane-1-carbonyl]-2-propan-2-ylphthalazin-1-one
CID 87029858

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one?
The IUPAC name of 4-[4-(4-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one (CID 139008351) is 4-[4-(4-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one.
What is the SMILES notation for 4-[4-(4-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one?
The canonical SMILES for 4-[4-(4-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one is Cc1ccnc(N2CCN(C(=O)c3nn(C(C)C)c(=O)c4ccccc34)CC2)c1.
What is the InChIKey of 4-[4-(4-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one?
The InChIKey is VXJBPRRYYVHFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-15(2)27-21(28)18-7-5-4-6-17(18)20(24-27)22(29)26-12-10-25(11-13-26)19-14-16(3)8-9-23-19/h4-9,14-15H,10-13H2,1-3H3.
What are the key properties of 4-[4-(4-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one?
4-[4-(4-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one has a molecular weight of 391.48 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one is sourced from PubChem (CID 139008351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).