1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-piperidin-1-ylphenyl]pyridin-2-one

C25H24ClN5O2S — CID 58326784

IUPAC1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-piperidin-1-ylphenyl]pyridin-2-one
SMILESO=C(CCc1cn(-c2ccc(-n3ccccc3=O)cc2N2CCCCC2)nn1)c1ccc(Cl)s1
InChIInChI=1S/C25H24ClN5O2S/c26-24-12-11-23(34-24)22(32)10-7-18-17-31(28-27-18)20-9-8-19(30-15-5-2-6-25(30)33)16-21(20)29-13-3-1-4-14-29/h2,5-6,8-9,11-12,15-17H,1,3-4,7,10,13-14H2
InChIKeyCUFLKZFNNHRKEQ-UHFFFAOYSA-N
MW494.02 g/mol
LogP4.94
Rot. Bonds7

About 1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-piperidin-1-ylphenyl]pyridin-2-one

1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-piperidin-1-ylphenyl]pyridin-2-one (PubChem CID 58326784) has the molecular formula C25H24ClN5O2S and a molecular weight of 494.02 g/mol. Its IUPAC name is 1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-piperidin-1-ylphenyl]pyridin-2-one.

Molecular Properties

Compound Name1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-piperidin-1-ylphenyl]pyridin-2-one
PubChem CID58326784
Molecular FormulaC25H24ClN5O2S
Molecular Weight494.02 g/mol
Exact Mass493.13
IUPAC Name1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-piperidin-1-ylphenyl]pyridin-2-one
SMILESO=C(CCc1cn(-c2ccc(-n3ccccc3=O)cc2N2CCCCC2)nn1)c1ccc(Cl)s1
InChIInChI=1S/C25H24ClN5O2S/c26-24-12-11-23(34-24)22(32)10-7-18-17-31(28-27-18)20-9-8-19(30-15-5-2-6-25(30)33)16-21(20)29-13-3-1-4-14-29/h2,5-6,8-9,11-12,15-17H,1,3-4,7,10,13-14H2
InChIKeyCUFLKZFNNHRKEQ-UHFFFAOYSA-N
XLogP4.94
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.02
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-imidazol-1-ylphenyl]pyridin-2-one
CID 58326862
1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-[4-(dimethylamino)butanoyl]phenyl]pyridin-2-one
CID 58326772
2-[2-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-5-(2-oxo-1-pyridinyl)phenoxy]ethanesulfonamide
CID 58326868
1-[2-[4-[[(5-chlorothiophene-2-carbonyl)amino]methyl]triazol-1-yl]-5-(2-oxo-1-pyridinyl)phenyl]piperidine-4-carboxylic acid
CID 59849056
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
5-chloro-N-[[1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-(2-oxo-1-pyridinyl)phenyl]triazol-4-yl]methyl]thiophene-2-carboxamide
CID 25002201
5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)-2-(4-propan-2-ylpiperazin-1-yl)phenyl]triazol-4-yl]methyl]thiophene-2-carboxamide
CID 24990941
5-chloro-N-[[1-[2-[4-(dimethylamino)piperidin-1-yl]-4-(2-oxo-1-pyridinyl)phenyl]triazol-4-yl]methyl]thiophene-2-carboxamide
CID 24997441
N-[[1-[2-(4-acetamidopiperidin-1-yl)-4-(2-oxo-1-pyridinyl)phenyl]triazol-4-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 24997439
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
N-[[1-[2-(aminomethyl)-4-(2-oxo-1-pyridinyl)phenyl]triazol-4-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 59849061
N-[[1-[2-carbamoyl-4-(2-oxo-1-pyridinyl)phenyl]triazol-4-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 59849086

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-piperidin-1-ylphenyl]pyridin-2-one?
The IUPAC name of 1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-piperidin-1-ylphenyl]pyridin-2-one (CID 58326784) is 1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-piperidin-1-ylphenyl]pyridin-2-one.
What is the SMILES notation for 1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-piperidin-1-ylphenyl]pyridin-2-one?
The canonical SMILES for 1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-piperidin-1-ylphenyl]pyridin-2-one is O=C(CCc1cn(-c2ccc(-n3ccccc3=O)cc2N2CCCCC2)nn1)c1ccc(Cl)s1.
What is the InChIKey of 1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-piperidin-1-ylphenyl]pyridin-2-one?
The InChIKey is CUFLKZFNNHRKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O2S/c26-24-12-11-23(34-24)22(32)10-7-18-17-31(28-27-18)20-9-8-19(30-15-5-2-6-25(30)33)16-21(20)29-13-3-1-4-14-29/h2,5-6,8-9,11-12,15-17H,1,3-4,7,10,13-14H2.
What are the key properties of 1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-piperidin-1-ylphenyl]pyridin-2-one?
1-[4-[4-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]triazol-1-yl]-3-piperidin-1-ylphenyl]pyridin-2-one has a molecular weight of 494.02 g/mol, XLogP of 4.94, 7 rotatable bonds, 0 hydrogen bond donors, and 8 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-piperidin-1-ylphenyl]pyridin-2-one is sourced from PubChem (CID 58326784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).