3-[2-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridazin-4-one

C23H17ClFN5O3 — CID 167533425

IUPAC3-[2-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridazin-4-one
SMILESCn1cc(-c2ccc(F)cc2)c(=O)c(C(=O)Cc2ccc(Oc3ccnc(N)c3Cl)cn2)n1
InChIInChI=1S/C23H17ClFN5O3/c1-30-12-17(13-2-4-14(25)5-3-13)22(32)21(29-30)18(31)10-15-6-7-16(11-28-15)33-19-8-9-27-23(26)20(19)24/h2-9,11-12H,10H2,1H3,(H2,26,27)
InChIKeyAGQVAIJJHKRZMM-UHFFFAOYSA-N
MW465.87 g/mol
LogP3.83
Rot. Bonds6

About 3-[2-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridazin-4-one

3-[2-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridazin-4-one (PubChem CID 167533425) has the molecular formula C23H17ClFN5O3 and a molecular weight of 465.87 g/mol. Its IUPAC name is 3-[2-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridazin-4-one.

Molecular Properties

Compound Name3-[2-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridazin-4-one
PubChem CID167533425
Molecular FormulaC23H17ClFN5O3
Molecular Weight465.87 g/mol
Exact Mass465.10
IUPAC Name3-[2-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridazin-4-one
SMILESCn1cc(-c2ccc(F)cc2)c(=O)c(C(=O)Cc2ccc(Oc3ccnc(N)c3Cl)cn2)n1
InChIInChI=1S/C23H17ClFN5O3/c1-30-12-17(13-2-4-14(25)5-3-13)22(32)21(29-30)18(31)10-15-6-7-16(11-28-15)33-19-8-9-27-23(26)20(19)24/h2-9,11-12H,10H2,1H3,(H2,26,27)
InChIKeyAGQVAIJJHKRZMM-UHFFFAOYSA-N
XLogP3.83
TPSA112.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.87
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[2-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridazin-4-one with MolForge

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Related Compounds

3-[2-[5-(3-amino-2-chlorophenoxy)-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-propan-2-ylpyridazin-4-one
CID 167534600
3-[2-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]pyrimidin-2-yl]acetyl]-5-(4-fluorophenyl)-1-prop-2-enylpyridazin-4-one
CID 167572094
3-[2-[5-(3-amino-2-chlorophenoxy)-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-propan-2-ylpyridin-4-one
CID 167534603
3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridin-4-one
CID 159384472
ethyl 5-(4-fluorophenyl)-1-methyl-4-oxopyridazine-3-carboxylate
CID 175918303
3-[2-[2-(3-amino-2-chlorophenoxy)pyrimidin-5-yl]acetyl]-5-(4-fluorophenyl)-1-propan-2-ylpyridazin-4-one
CID 167653562
3-[2-[5-[[2-(benzhydrylideneamino)-3-chloro-4-pyridinyl]oxy]pyrimidin-2-yl]acetyl]-5-(4-fluorophenyl)-1-propan-2-ylpyridazin-4-one;3-[2-[5-[(2,3-dichloro-4-pyridinyl)oxy]pyrimidin-2-yl]acetyl]-5-(4-fluorophenyl)-1-propan-2-ylpyridazin-4-one
CID 167584277
3-[2-[6-(3-amino-2-chlorophenoxy)-3-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-propan-2-ylpyridazin-4-one
CID 167653563
3-[2-[5-[[3-(4,4-difluorobutan-2-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridin-4-one
CID 160710418
1-cyclopropyl-3-[2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetyl]-5-(4-fluorophenyl)pyridazin-4-one
CID 163439084
[3-[[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-5-(4-fluorophenyl)-4-oxo-1-pyridinyl]methyl phosphate
CID 159266494
methyl 4-(4-fluorophenyl)-1-methylpyrazole-3-carboxylate
CID 154672739

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridazin-4-one?
The IUPAC name of 3-[2-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridazin-4-one (CID 167533425) is 3-[2-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridazin-4-one.
What is the SMILES notation for 3-[2-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridazin-4-one?
The canonical SMILES for 3-[2-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridazin-4-one is Cn1cc(-c2ccc(F)cc2)c(=O)c(C(=O)Cc2ccc(Oc3ccnc(N)c3Cl)cn2)n1.
What is the InChIKey of 3-[2-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridazin-4-one?
The InChIKey is AGQVAIJJHKRZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN5O3/c1-30-12-17(13-2-4-14(25)5-3-13)22(32)21(29-30)18(31)10-15-6-7-16(11-28-15)33-19-8-9-27-23(26)20(19)24/h2-9,11-12H,10H2,1H3,(H2,26,27).
What are the key properties of 3-[2-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridazin-4-one?
3-[2-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridazin-4-one has a molecular weight of 465.87 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-[(2-amino-3-chloro-4-pyridinyl)oxy]-2-pyridinyl]acetyl]-5-(4-fluorophenyl)-1-methylpyridazin-4-one is sourced from PubChem (CID 167533425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).