7-(4-fluorophenyl)-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-5-morpholin-4-ylsulfonylphthalazin-1-amine

C25H25FN6O3S — CID 164823008

IUPAC7-(4-fluorophenyl)-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-5-morpholin-4-ylsulfonylphthalazin-1-amine
SMILESCc1ccc([C@@H](C)Nc2nncc3c(S(=O)(=O)N4CCOCC4)cc(-c4ccc(F)cc4)cc23)nn1
InChIInChI=1S/C25H25FN6O3S/c1-16-3-8-23(30-29-16)17(2)28-25-21-13-19(18-4-6-20(26)7-5-18)14-24(22(21)15-27-31-25)36(33,34)32-9-11-35-12-10-32/h3-8,13-15,17H,9-12H2,1-2H3,(H,28,31)/t17-/m1/s1
InChIKeyCFAZCXVQVMIGRJ-QGZVFWFLSA-N
MW508.58 g/mol
LogP3.73
Rot. Bonds6

About 7-(4-fluorophenyl)-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-5-morpholin-4-ylsulfonylphthalazin-1-amine

7-(4-fluorophenyl)-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-5-morpholin-4-ylsulfonylphthalazin-1-amine (PubChem CID 164823008) has the molecular formula C25H25FN6O3S and a molecular weight of 508.58 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-5-morpholin-4-ylsulfonylphthalazin-1-amine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-5-morpholin-4-ylsulfonylphthalazin-1-amine
PubChem CID164823008
Molecular FormulaC25H25FN6O3S
Molecular Weight508.58 g/mol
Exact Mass508.17
IUPAC Name7-(4-fluorophenyl)-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-5-morpholin-4-ylsulfonylphthalazin-1-amine
SMILESCc1ccc([C@@H](C)Nc2nncc3c(S(=O)(=O)N4CCOCC4)cc(-c4ccc(F)cc4)cc23)nn1
InChIInChI=1S/C25H25FN6O3S/c1-16-3-8-23(30-29-16)17(2)28-25-21-13-19(18-4-6-20(26)7-5-18)14-24(22(21)15-27-31-25)36(33,34)32-9-11-35-12-10-32/h3-8,13-15,17H,9-12H2,1-2H3,(H,28,31)/t17-/m1/s1
InChIKeyCFAZCXVQVMIGRJ-QGZVFWFLSA-N
XLogP3.73
TPSA110.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.58
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(4-fluorophenyl)-N-[1-(6-methylpyridazin-3-yl)ethyl]-8-morpholin-4-ylsulfonylquinazolin-4-amine
CID 175190898
6-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-4-ylquinazolin-4-amine
CID 155728257
N-[(1S)-1-(2,6-difluorophenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylaniline
CID 97020537
1-(2,3,4-trimethoxy-5-morpholin-4-ylsulfonylphenyl)ethanone
CID 118477196
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 16591698
4-[5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]sulfonylmorpholine
CID 53098016
4-[5-[3-(3,4-difluorophenyl)-1H-1,2,4-triazol-5-yl]-2-methylphenyl]sulfonylmorpholine
CID 163403532
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 2713189
4-(2-methoxy-3,5-dimethylphenyl)sulfonylmorpholine
CID 110758314
4-fluoro-2-morpholin-4-ylsulfonylbenzoic acid
CID 102919371
4-[2-methyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]sulfonylmorpholine
CID 163403555
3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 122341372

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-5-morpholin-4-ylsulfonylphthalazin-1-amine?
The IUPAC name of 7-(4-fluorophenyl)-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-5-morpholin-4-ylsulfonylphthalazin-1-amine (CID 164823008) is 7-(4-fluorophenyl)-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-5-morpholin-4-ylsulfonylphthalazin-1-amine.
What is the SMILES notation for 7-(4-fluorophenyl)-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-5-morpholin-4-ylsulfonylphthalazin-1-amine?
The canonical SMILES for 7-(4-fluorophenyl)-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-5-morpholin-4-ylsulfonylphthalazin-1-amine is Cc1ccc([C@@H](C)Nc2nncc3c(S(=O)(=O)N4CCOCC4)cc(-c4ccc(F)cc4)cc23)nn1.
What is the InChIKey of 7-(4-fluorophenyl)-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-5-morpholin-4-ylsulfonylphthalazin-1-amine?
The InChIKey is CFAZCXVQVMIGRJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H25FN6O3S/c1-16-3-8-23(30-29-16)17(2)28-25-21-13-19(18-4-6-20(26)7-5-18)14-24(22(21)15-27-31-25)36(33,34)32-9-11-35-12-10-32/h3-8,13-15,17H,9-12H2,1-2H3,(H,28,31)/t17-/m1/s1.
What are the key properties of 7-(4-fluorophenyl)-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-5-morpholin-4-ylsulfonylphthalazin-1-amine?
7-(4-fluorophenyl)-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-5-morpholin-4-ylsulfonylphthalazin-1-amine has a molecular weight of 508.58 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-5-morpholin-4-ylsulfonylphthalazin-1-amine is sourced from PubChem (CID 164823008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).