1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-fluorophenyl]pyridin-2-one;1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-hydroxyphenyl]pyridin-2-one;1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-(pyridin-3-ylmethoxy)phenyl]pyridin-2-one

C66H49Cl3FN13O8S3 — CID 160594651

IUPAC1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-fluorophenyl]pyridin-2-one;1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-hydroxyphenyl]pyridin-2-one;1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-(pyridin-3-ylmethoxy)phenyl]pyridin-2-one
SMILESO=C(CCc1cn(-c2ccc(-n3ccccc3=O)cc2F)nn1)c1ccc(Cl)s1.O=C(CCc1cn(-c2ccc(-n3ccccc3=O)cc2O)nn1)c1ccc(Cl)s1.O=C(CCc1cn(-c2ccc(-n3ccccc3=O)cc2OCc2cccnc2)nn1)c1ccc(Cl)s1
InChIInChI=1S/C26H20ClN5O3S.C20H14ClFN4O2S.C20H15ClN4O3S/c27-25-11-10-24(36-25)22(33)9-6-19-16-32(30-29-19)21-8-7-20(31-13-2-1-5-26(31)34)14-23(21)35-17-18-4-3-12-28-15-18;21-19-9-8-18(29-19)17(27)7-4-13-12-26(24-23-13)16-6-5-14(11-15(16)22)25-10-2-1-3-20(25)28;21-19-9-8-18(29-19)16(26)7-4-13-12-25(23-22-13)15-6-5-14(11-17(15)27)24-10-2-1-3-20(24)28/h1-5,7-8,10-16H,6,9,17H2;1-3,5-6,8-12H,4,7H2;1-3,5-6,8-12,27H,4,7H2
InChIKeyRDLXEMZYNDGTMG-UHFFFAOYSA-N
MW1373.76 g/mol
LogP12.66
Rot. Bonds21

About 1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-fluorophenyl]pyridin-2-one;1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-hydroxyphenyl]pyridin-2-one;1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-(pyridin-3-ylmethoxy)phenyl]pyridin-2-one

1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-fluorophenyl]pyridin-2-one;1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-hydroxyphenyl]pyridin-2-one;1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-(pyridin-3-ylmethoxy)phenyl]pyridin-2-one (PubChem CID 160594651) has the molecular formula C66H49Cl3FN13O8S3 and a molecular weight of 1373.76 g/mol. Its IUPAC name is 1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-fluorophenyl]pyridin-2-one;1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-hydroxyphenyl]pyridin-2-one;1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-(pyridin-3-ylmethoxy)phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-fluorophenyl]pyridin-2-one;1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-hydroxyphenyl]pyridin-2-one;1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-(pyridin-3-ylmethoxy)phenyl]pyridin-2-one
PubChem CID160594651
Molecular FormulaC66H49Cl3FN13O8S3
Molecular Weight1373.76 g/mol
Exact Mass1371.20
IUPAC Name1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-fluorophenyl]pyridin-2-one;1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-hydroxyphenyl]pyridin-2-one;1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-(pyridin-3-ylmethoxy)phenyl]pyridin-2-one
SMILESO=C(CCc1cn(-c2ccc(-n3ccccc3=O)cc2F)nn1)c1ccc(Cl)s1.O=C(CCc1cn(-c2ccc(-n3ccccc3=O)cc2O)nn1)c1ccc(Cl)s1.O=C(CCc1cn(-c2ccc(-n3ccccc3=O)cc2OCc2cccnc2)nn1)c1ccc(Cl)s1
InChIInChI=1S/C26H20ClN5O3S.C20H14ClFN4O2S.C20H15ClN4O3S/c27-25-11-10-24(36-25)22(33)9-6-19-16-32(30-29-19)21-8-7-20(31-13-2-1-5-26(31)34)14-23(21)35-17-18-4-3-12-28-15-18;21-19-9-8-18(29-19)17(27)7-4-13-12-26(24-23-13)16-6-5-14(11-15(16)22)25-10-2-1-3-20(25)28;21-19-9-8-18(29-19)16(26)7-4-13-12-25(23-22-13)15-6-5-14(11-17(15)27)24-10-2-1-3-20(24)28/h1-5,7-8,10-16H,6,9,17H2;1-3,5-6,8-12H,4,7H2;1-3,5-6,8-12,27H,4,7H2
InChIKeyRDLXEMZYNDGTMG-UHFFFAOYSA-N
XLogP12.66
TPSA251.69 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001373.76
LogP ≤ 512.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Analyze 1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-fluorophenyl]pyridin-2-one;1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-hydroxyphenyl]pyridin-2-one;1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-(pyridin-3-ylmethoxy)phenyl]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-fluorophenyl]pyridin-2-one;1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-hydroxyphenyl]pyridin-2-one;1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-(pyridin-3-ylmethoxy)phenyl]pyridin-2-one?
The IUPAC name of 1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-fluorophenyl]pyridin-2-one;1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-hydroxyphenyl]pyridin-2-one;1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-(pyridin-3-ylmethoxy)phenyl]pyridin-2-one (CID 160594651) is 1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-fluorophenyl]pyridin-2-one;1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-hydroxyphenyl]pyridin-2-one;1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-(pyridin-3-ylmethoxy)phenyl]pyridin-2-one.
What is the SMILES notation for 1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-fluorophenyl]pyridin-2-one;1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-hydroxyphenyl]pyridin-2-one;1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-(pyridin-3-ylmethoxy)phenyl]pyridin-2-one?
The canonical SMILES for 1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-fluorophenyl]pyridin-2-one;1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-hydroxyphenyl]pyridin-2-one;1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-(pyridin-3-ylmethoxy)phenyl]pyridin-2-one is O=C(CCc1cn(-c2ccc(-n3ccccc3=O)cc2F)nn1)c1ccc(Cl)s1.O=C(CCc1cn(-c2ccc(-n3ccccc3=O)cc2O)nn1)c1ccc(Cl)s1.O=C(CCc1cn(-c2ccc(-n3ccccc3=O)cc2OCc2cccnc2)nn1)c1ccc(Cl)s1.
What is the InChIKey of 1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-fluorophenyl]pyridin-2-one;1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-hydroxyphenyl]pyridin-2-one;1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-(pyridin-3-ylmethoxy)phenyl]pyridin-2-one?
The InChIKey is RDLXEMZYNDGTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN5O3S.C20H14ClFN4O2S.C20H15ClN4O3S/c27-25-11-10-24(36-25)22(33)9-6-19-16-32(30-29-19)21-8-7-20(31-13-2-1-5-26(31)34)14-23(21)35-17-18-4-3-12-28-15-18;21-19-9-8-18(29-19)17(27)7-4-13-12-26(24-23-13)16-6-5-14(11-15(16)22)25-10-2-1-3-20(25)28;21-19-9-8-18(29-19)16(26)7-4-13-12-25(23-22-13)15-6-5-14(11-17(15)27)24-10-2-1-3-20(24)28/h1-5,7-8,10-16H,6,9,17H2;1-3,5-6,8-12H,4,7H2;1-3,5-6,8-12,27H,4,7H2.
What are the key properties of 1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-fluorophenyl]pyridin-2-one;1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-hydroxyphenyl]pyridin-2-one;1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-(pyridin-3-ylmethoxy)phenyl]pyridin-2-one?
1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-fluorophenyl]pyridin-2-one;1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-hydroxyphenyl]pyridin-2-one;1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-(pyridin-3-ylmethoxy)phenyl]pyridin-2-one has a molecular weight of 1373.76 g/mol, XLogP of 12.66, 21 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-fluorophenyl]pyridin-2-one;1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-hydroxyphenyl]pyridin-2-one;1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-(pyridin-3-ylmethoxy)phenyl]pyridin-2-one is sourced from PubChem (CID 160594651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).