[4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-thiomorpholin-4-ylmethanone

C23H24FN5OS — CID 42691066

IUPAC[4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(c1nnc(N2CCN(c3ccc(F)cc3)CC2)c2ccccc12)N1CCSCC1
InChIInChI=1S/C23H24FN5OS/c24-17-5-7-18(8-6-17)27-9-11-28(12-10-27)22-20-4-2-1-3-19(20)21(25-26-22)23(30)29-13-15-31-16-14-29/h1-8H,9-16H2
InChIKeyJOVKNZJRWJPXKH-UHFFFAOYSA-N
MW437.54 g/mol
LogP3.28
Rot. Bonds3

About [4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-thiomorpholin-4-ylmethanone

[4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-thiomorpholin-4-ylmethanone (PubChem CID 42691066) has the molecular formula C23H24FN5OS and a molecular weight of 437.54 g/mol. Its IUPAC name is [4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-thiomorpholin-4-ylmethanone
PubChem CID42691066
Molecular FormulaC23H24FN5OS
Molecular Weight437.54 g/mol
Exact Mass437.17
IUPAC Name[4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(c1nnc(N2CCN(c3ccc(F)cc3)CC2)c2ccccc12)N1CCSCC1
InChIInChI=1S/C23H24FN5OS/c24-17-5-7-18(8-6-17)27-9-11-28(12-10-27)22-20-4-2-1-3-19(20)21(25-26-22)23(30)29-13-15-31-16-14-29/h1-8H,9-16H2
InChIKeyJOVKNZJRWJPXKH-UHFFFAOYSA-N
XLogP3.28
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone
CID 42691070
[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone
CID 42878392
N-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide
CID 42691033
N-[(2-fluorophenyl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazine-1-carboxamide
CID 42691065
[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]-pyrrolidin-1-ylmethanone
CID 42690942
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone
CID 122174457
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)phthalazine-1-carboxamide
CID 42878379
[4-[4-(2-chlorophenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone
CID 42878282
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one
CID 78781351
[4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone
CID 42691115
[4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 42691138
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-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-thiomorpholin-4-ylmethanone (CID 42691066) is [4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-thiomorpholin-4-ylmethanone is O=C(c1nnc(N2CCN(c3ccc(F)cc3)CC2)c2ccccc12)N1CCSCC1.
What is the InChIKey of [4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is JOVKNZJRWJPXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5OS/c24-17-5-7-18(8-6-17)27-9-11-28(12-10-27)22-20-4-2-1-3-19(20)21(25-26-22)23(30)29-13-15-31-16-14-29/h1-8H,9-16H2.
What are the key properties of [4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-thiomorpholin-4-ylmethanone?
[4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 437.54 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 42691066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).