4-chloro-5-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-phenylpyridazin-3-one

C20H17ClFN3O2 — CID 36726677

IUPAC4-chloro-5-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-phenylpyridazin-3-one
SMILESO=c1c(Cl)c(N2CCO[C@H](c3ccc(F)cc3)C2)cnn1-c1ccccc1
InChIInChI=1S/C20H17ClFN3O2/c21-19-17(12-23-25(20(19)26)16-4-2-1-3-5-16)24-10-11-27-18(13-24)14-6-8-15(22)9-7-14/h1-9,12,18H,10-11,13H2/t18-/m0/s1
InChIKeyLFDNZVHNFNXPSD-SFHVURJKSA-N
MW385.83 g/mol
LogP3.60
Rot. Bonds3

About 4-chloro-5-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-phenylpyridazin-3-one

4-chloro-5-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-phenylpyridazin-3-one (PubChem CID 36726677) has the molecular formula C20H17ClFN3O2 and a molecular weight of 385.83 g/mol. Its IUPAC name is 4-chloro-5-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-phenylpyridazin-3-one
PubChem CID36726677
Molecular FormulaC20H17ClFN3O2
Molecular Weight385.83 g/mol
Exact Mass385.10
IUPAC Name4-chloro-5-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-phenylpyridazin-3-one
SMILESO=c1c(Cl)c(N2CCO[C@H](c3ccc(F)cc3)C2)cnn1-c1ccccc1
InChIInChI=1S/C20H17ClFN3O2/c21-19-17(12-23-25(20(19)26)16-4-2-1-3-5-16)24-10-11-27-18(13-24)14-6-8-15(22)9-7-14/h1-9,12,18H,10-11,13H2/t18-/m0/s1
InChIKeyLFDNZVHNFNXPSD-SFHVURJKSA-N
XLogP3.60
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-[2-(furan-2-yl)morpholin-4-yl]-2-phenylpyridazin-3-one
CID 133347329
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4-chloro-5-[2-(2-methylphenyl)morpholin-4-yl]-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
CID 133354112
4-chloro-2-(2,4-difluorophenyl)-5-(2-methyl-6-phenylmorpholin-4-yl)pyridazin-3-one
CID 47983429
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CID 29108150
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5-[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-4-chloro-2-phenylpyridazin-3-one
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5-[4-(azepane-1-carbonyl)piperidin-1-yl]-4-chloro-2-phenylpyridazin-3-one
CID 9206668
4-chloro-2-phenyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazin-3-one
CID 133317828
4-chloro-5-(4-ethoxypiperidin-1-yl)-2-phenylpyridazin-3-one
CID 133271354
[2-(4-fluorophenyl)morpholin-4-yl]-(2-phenyltriazol-4-yl)methanone
CID 134044299

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-phenylpyridazin-3-one (CID 36726677) is 4-chloro-5-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-phenylpyridazin-3-one is O=c1c(Cl)c(N2CCO[C@H](c3ccc(F)cc3)C2)cnn1-c1ccccc1.
What is the InChIKey of 4-chloro-5-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-phenylpyridazin-3-one?
The InChIKey is LFDNZVHNFNXPSD-SFHVURJKSA-N. The full InChI is InChI=1S/C20H17ClFN3O2/c21-19-17(12-23-25(20(19)26)16-4-2-1-3-5-16)24-10-11-27-18(13-24)14-6-8-15(22)9-7-14/h1-9,12,18H,10-11,13H2/t18-/m0/s1.
What are the key properties of 4-chloro-5-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-phenylpyridazin-3-one?
4-chloro-5-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-phenylpyridazin-3-one has a molecular weight of 385.83 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-phenylpyridazin-3-one is sourced from PubChem (CID 36726677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).