2-(3-methoxyphenyl)-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]acetamide

C20H22N6O2S — CID 53168028

IUPAC2-(3-methoxyphenyl)-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]acetamide
SMILESCOc1cccc(CC(=O)Nc2cnn(-c3ncc(N4CCSCC4)cn3)c2)c1
InChIInChI=1S/C20H22N6O2S/c1-28-18-4-2-3-15(9-18)10-19(27)24-16-11-23-26(14-16)20-21-12-17(13-22-20)25-5-7-29-8-6-25/h2-4,9,11-14H,5-8,10H2,1H3,(H,24,27)
InChIKeyNZXQGVSNZJNDDH-UHFFFAOYSA-N
MW410.50 g/mol
LogP2.41
Rot. Bonds6

About 2-(3-methoxyphenyl)-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]acetamide

2-(3-methoxyphenyl)-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]acetamide (PubChem CID 53168028) has the molecular formula C20H22N6O2S and a molecular weight of 410.50 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]acetamide
PubChem CID53168028
Molecular FormulaC20H22N6O2S
Molecular Weight410.50 g/mol
Exact Mass410.15
IUPAC Name2-(3-methoxyphenyl)-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]acetamide
SMILESCOc1cccc(CC(=O)Nc2cnn(-c3ncc(N4CCSCC4)cn3)c2)c1
InChIInChI=1S/C20H22N6O2S/c1-28-18-4-2-3-15(9-18)10-19(27)24-16-11-23-26(14-16)20-21-12-17(13-22-20)25-5-7-29-8-6-25/h2-4,9,11-14H,5-8,10H2,1H3,(H,24,27)
InChIKeyNZXQGVSNZJNDDH-UHFFFAOYSA-N
XLogP2.41
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(3-methoxyphenyl)-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methoxyphenyl)-N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]acetamide
CID 53167952
2-(3-methoxyphenyl)-N-[1-(5-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]acetamide
CID 53189929
N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]-3-(3-methoxyphenyl)propanamide
CID 53167940
3-(4-methoxyphenyl)-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide
CID 53168015
N-[1-[5-(dimethylamino)pyrimidin-4-yl]pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide
CID 53190035
2-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]acetamide
CID 35521443
N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]-4-(trifluoromethyl)benzamide
CID 53168039
2-(3-methoxyphenyl)-N-(4-pyrazol-1-ylphenyl)acetamide
CID 31907046
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
N-(6-amino-3-pyridinyl)-2-(3-methoxyphenyl)acetamide
CID 62899176
N-(6-chloro-5-methyl-3-pyridinyl)-2-(3-methoxyphenyl)acetamide
CID 103730431
2-(3-methoxyphenyl)-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide
CID 131909721

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]acetamide (CID 53168028) is 2-(3-methoxyphenyl)-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]acetamide is COc1cccc(CC(=O)Nc2cnn(-c3ncc(N4CCSCC4)cn3)c2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]acetamide?
The InChIKey is NZXQGVSNZJNDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2S/c1-28-18-4-2-3-15(9-18)10-19(27)24-16-11-23-26(14-16)20-21-12-17(13-22-20)25-5-7-29-8-6-25/h2-4,9,11-14H,5-8,10H2,1H3,(H,24,27).
What are the key properties of 2-(3-methoxyphenyl)-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]acetamide?
2-(3-methoxyphenyl)-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]acetamide has a molecular weight of 410.50 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 53168028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).