N-[2-[5-(3-methoxyphenyl)-3-pyridin-3-ylpyrazol-1-yl]ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

C22H23N5O3S — CID 92600380

IUPACN-[2-[5-(3-methoxyphenyl)-3-pyridin-3-ylpyrazol-1-yl]ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCOc1cccc(-c2cc(-c3cccnc3)nn2CCNC(=O)CN2CSCC2=O)c1
InChIInChI=1S/C22H23N5O3S/c1-30-18-6-2-4-16(10-18)20-11-19(17-5-3-7-23-12-17)25-27(20)9-8-24-21(28)13-26-15-31-14-22(26)29/h2-7,10-12H,8-9,13-15H2,1H3,(H,24,28)
InChIKeyPEFYYNRDISAPFI-UHFFFAOYSA-N
MW437.53 g/mol
LogP2.27
Rot. Bonds8

About N-[2-[5-(3-methoxyphenyl)-3-pyridin-3-ylpyrazol-1-yl]ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

N-[2-[5-(3-methoxyphenyl)-3-pyridin-3-ylpyrazol-1-yl]ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 92600380) has the molecular formula C22H23N5O3S and a molecular weight of 437.53 g/mol. Its IUPAC name is N-[2-[5-(3-methoxyphenyl)-3-pyridin-3-ylpyrazol-1-yl]ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-[5-(3-methoxyphenyl)-3-pyridin-3-ylpyrazol-1-yl]ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID92600380
Molecular FormulaC22H23N5O3S
Molecular Weight437.53 g/mol
Exact Mass437.15
IUPAC NameN-[2-[5-(3-methoxyphenyl)-3-pyridin-3-ylpyrazol-1-yl]ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCOc1cccc(-c2cc(-c3cccnc3)nn2CCNC(=O)CN2CSCC2=O)c1
InChIInChI=1S/C22H23N5O3S/c1-30-18-6-2-4-16(10-18)20-11-19(17-5-3-7-23-12-17)25-27(20)9-8-24-21(28)13-26-15-31-14-22(26)29/h2-7,10-12H,8-9,13-15H2,1H3,(H,24,28)
InChIKeyPEFYYNRDISAPFI-UHFFFAOYSA-N
XLogP2.27
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

trans-(1S,2S)-N-[2-[5-(3-methoxyphenyl)-3-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methylcyclopropane-1-carboxamide
CID 92583705
2-methoxy-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]acetamide
CID 42142535
N-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]cyclohexanecarboxamide
CID 92596753
(2R)-N-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-phenylpropanamide
CID 92582699
N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-(2-methoxyphenyl)acetamide
CID 92601561
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051815
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 3224474
N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide
CID 92602574
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050358
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 121051159
N-[2-(4-ethoxyphenoxy)ethyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052481
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 121050274

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(3-methoxyphenyl)-3-pyridin-3-ylpyrazol-1-yl]ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-[2-[5-(3-methoxyphenyl)-3-pyridin-3-ylpyrazol-1-yl]ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 92600380) is N-[2-[5-(3-methoxyphenyl)-3-pyridin-3-ylpyrazol-1-yl]ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-[2-[5-(3-methoxyphenyl)-3-pyridin-3-ylpyrazol-1-yl]ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-[2-[5-(3-methoxyphenyl)-3-pyridin-3-ylpyrazol-1-yl]ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is COc1cccc(-c2cc(-c3cccnc3)nn2CCNC(=O)CN2CSCC2=O)c1.
What is the InChIKey of N-[2-[5-(3-methoxyphenyl)-3-pyridin-3-ylpyrazol-1-yl]ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is PEFYYNRDISAPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S/c1-30-18-6-2-4-16(10-18)20-11-19(17-5-3-7-23-12-17)25-27(20)9-8-24-21(28)13-26-15-31-14-22(26)29/h2-7,10-12H,8-9,13-15H2,1H3,(H,24,28).
What are the key properties of N-[2-[5-(3-methoxyphenyl)-3-pyridin-3-ylpyrazol-1-yl]ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-[2-[5-(3-methoxyphenyl)-3-pyridin-3-ylpyrazol-1-yl]ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 437.53 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(3-methoxyphenyl)-3-pyridin-3-ylpyrazol-1-yl]ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 92600380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).