[4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-(4-methylpiperazin-1-yl)methanone

C25H30N6O2 — CID 42691138

IUPAC[4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1cccc(N2CCN(c3nnc(C(=O)N4CCN(C)CC4)c4ccccc34)CC2)c1
InChIInChI=1S/C25H30N6O2/c1-28-10-12-31(13-11-28)25(32)23-21-8-3-4-9-22(21)24(27-26-23)30-16-14-29(15-17-30)19-6-5-7-20(18-19)33-2/h3-9,18H,10-17H2,1-2H3
InChIKeyJSKWBTRWWHXBFW-UHFFFAOYSA-N
MW446.56 g/mol
LogP2.35
Rot. Bonds4

About [4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-(4-methylpiperazin-1-yl)methanone

[4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 42691138) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is [4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID42691138
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name[4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1cccc(N2CCN(c3nnc(C(=O)N4CCN(C)CC4)c4ccccc34)CC2)c1
InChIInChI=1S/C25H30N6O2/c1-28-10-12-31(13-11-28)25(32)23-21-8-3-4-9-22(21)24(27-26-23)30-16-14-29(15-17-30)19-6-5-7-20(18-19)33-2/h3-9,18H,10-17H2,1-2H3
InChIKeyJSKWBTRWWHXBFW-UHFFFAOYSA-N
XLogP2.35
TPSA65.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone
CID 42691115
[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]-pyrrolidin-1-ylmethanone
CID 42690942
4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one
CID 38574233
[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone
CID 42878392
4-[4-(3-methoxyphenyl)piperazin-1-yl]-N-morpholin-4-ylphthalazine-1-carboxamide
CID 42691125
methyl 4-(4-methylpiperazin-1-yl)phthalazine-1-carboxylate
CID 6418780
4-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]phthalazine-1-carboxamide
CID 93009657
[4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone
CID 42691070
1-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)phthalazine
CID 101106350
(2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 3836254
[4-(3-methoxyphenyl)piperazin-1-yl]-(3-phenylcinnolin-4-yl)methanone
CID 46288051
(2-chloro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 9372250

Frequently Asked Questions

What is the IUPAC name of [4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-(4-methylpiperazin-1-yl)methanone (CID 42691138) is [4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-(4-methylpiperazin-1-yl)methanone is COc1cccc(N2CCN(c3nnc(C(=O)N4CCN(C)CC4)c4ccccc34)CC2)c1.
What is the InChIKey of [4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is JSKWBTRWWHXBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-28-10-12-31(13-11-28)25(32)23-21-8-3-4-9-22(21)24(27-26-23)30-16-14-29(15-17-30)19-6-5-7-20(18-19)33-2/h3-9,18H,10-17H2,1-2H3.
What are the key properties of [4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-(4-methylpiperazin-1-yl)methanone?
[4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 446.56 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 42691138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).