3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide

C20H19N5O2S — CID 51314616

IUPAC3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
SMILESO=C(CCn1cnc2sccc2c1=O)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C20H19N5O2S/c26-18(6-10-24-14-22-19-17(20(24)27)7-11-28-19)21-12-15-4-1-2-5-16(15)13-25-9-3-8-23-25/h1-5,7-9,11,14H,6,10,12-13H2,(H,21,26)
InChIKeyBCUKYVCWBWDMNA-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.41
Rot. Bonds7

About 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide

3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide (PubChem CID 51314616) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
PubChem CID51314616
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC Name3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
SMILESO=C(CCn1cnc2sccc2c1=O)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C20H19N5O2S/c26-18(6-10-24-14-22-19-17(20(24)27)7-11-28-19)21-12-15-4-1-2-5-16(15)13-25-9-3-8-23-25/h1-5,7-9,11,14H,6,10,12-13H2,(H,21,26)
InChIKeyBCUKYVCWBWDMNA-UHFFFAOYSA-N
XLogP2.41
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide 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

3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propylpropanamide
CID 47137735
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 35859833
N-[(3-chlorophenyl)methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 26014591
N-[3-(4-benzylpiperazin-1-yl)propyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 55634142
6-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]hexanoic acid
CID 119220091
2-[2-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]ethylsulfanyl]acetic acid
CID 119242258
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide
CID 55976071
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)propanamide
CID 51309703
N-[(2-methoxyphenyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 27687387
N-[(1-hydroxycyclohexyl)methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 111446065
N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 39467752
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylsulfanylphenyl)propanamide
CID 55482148

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide (CID 51314616) is 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide is O=C(CCn1cnc2sccc2c1=O)NCc1ccccc1Cn1cccn1.
What is the InChIKey of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide?
The InChIKey is BCUKYVCWBWDMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c26-18(6-10-24-14-22-19-17(20(24)27)7-11-28-19)21-12-15-4-1-2-5-16(15)13-25-9-3-8-23-25/h1-5,7-9,11,14H,6,10,12-13H2,(H,21,26).
What are the key properties of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide?
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide has a molecular weight of 393.47 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 51314616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).