4-[5-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-2-pyridinyl]morpholin-3-one

C18H16ClN5O3S — CID 158804843

IUPAC4-[5-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-2-pyridinyl]morpholin-3-one
SMILESO=C(CCc1cn(-c2ccc(N3CCOCC3=O)nc2)nn1)c1ccc(Cl)s1
InChIInChI=1S/C18H16ClN5O3S/c19-16-5-4-15(28-16)14(25)3-1-12-10-24(22-21-12)13-2-6-17(20-9-13)23-7-8-27-11-18(23)26/h2,4-6,9-10H,1,3,7-8,11H2
InChIKeyITYFHIXTEKHYMP-UHFFFAOYSA-N
MW417.88 g/mol
LogP2.56
Rot. Bonds6

About 4-[5-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-2-pyridinyl]morpholin-3-one

4-[5-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-2-pyridinyl]morpholin-3-one (PubChem CID 158804843) has the molecular formula C18H16ClN5O3S and a molecular weight of 417.88 g/mol. Its IUPAC name is 4-[5-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-2-pyridinyl]morpholin-3-one.

Molecular Properties

Compound Name4-[5-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-2-pyridinyl]morpholin-3-one
PubChem CID158804843
Molecular FormulaC18H16ClN5O3S
Molecular Weight417.88 g/mol
Exact Mass417.07
IUPAC Name4-[5-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-2-pyridinyl]morpholin-3-one
SMILESO=C(CCc1cn(-c2ccc(N3CCOCC3=O)nc2)nn1)c1ccc(Cl)s1
InChIInChI=1S/C18H16ClN5O3S/c19-16-5-4-15(28-16)14(25)3-1-12-10-24(22-21-12)13-2-6-17(20-9-13)23-7-8-27-11-18(23)26/h2,4-6,9-10H,1,3,7-8,11H2
InChIKeyITYFHIXTEKHYMP-UHFFFAOYSA-N
XLogP2.56
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.88
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[5-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-2-pyridinyl]morpholin-3-one with MolForge

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Related Compounds

1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]phenyl]-3-fluoropyridin-2-one
CID 153255917
1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-piperidin-1-ylphenyl]pyridin-2-one
CID 58326784
5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
CID 25099710
1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-imidazol-1-ylphenyl]pyridin-2-one
CID 58326862
4-amino-1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyrimidin-2-one
CID 159723367
5-chloro-N-[[1-[4-(3-oxomorpholin-4-yl)phenyl]-3-pyridin-4-ylpyrazol-4-yl]methyl]thiophene-2-carboxamide
CID 57436936
5-bromo-N-[(3R)-5-oxo-1-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]thiophene-2-carboxamide
CID 11568908
2-[2-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-5-(2-oxo-1-pyridinyl)phenoxy]ethanesulfonamide
CID 58326868
5-chloro-N-[[5-methyl-1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
CID 25099709
1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-[4-(dimethylamino)butanoyl]phenyl]pyridin-2-one
CID 58326772
4-[(5-chlorothiophene-2-carbonyl)amino]-5-oxo-5-[4-(3-oxomorpholin-4-yl)anilino]pentanoic acid
CID 68885043
2-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-N-methyl-N-[2-(methylamino)ethyl]-5-(2-oxo-1-pyridinyl)benzamide
CID 58326828

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-2-pyridinyl]morpholin-3-one?
The IUPAC name of 4-[5-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-2-pyridinyl]morpholin-3-one (CID 158804843) is 4-[5-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-2-pyridinyl]morpholin-3-one.
What is the SMILES notation for 4-[5-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-2-pyridinyl]morpholin-3-one?
The canonical SMILES for 4-[5-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-2-pyridinyl]morpholin-3-one is O=C(CCc1cn(-c2ccc(N3CCOCC3=O)nc2)nn1)c1ccc(Cl)s1.
What is the InChIKey of 4-[5-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-2-pyridinyl]morpholin-3-one?
The InChIKey is ITYFHIXTEKHYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O3S/c19-16-5-4-15(28-16)14(25)3-1-12-10-24(22-21-12)13-2-6-17(20-9-13)23-7-8-27-11-18(23)26/h2,4-6,9-10H,1,3,7-8,11H2.
What are the key properties of 4-[5-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-2-pyridinyl]morpholin-3-one?
4-[5-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-2-pyridinyl]morpholin-3-one has a molecular weight of 417.88 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-2-pyridinyl]morpholin-3-one is sourced from PubChem (CID 158804843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).