N-cyclopentyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]propanamide

C26H31N5O3S — CID 25117403

IUPACN-cyclopentyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]propanamide
SMILESCc1c(C(=O)N2CCN(c3ccccc3)CC2)sc2ncn(C(C)C(=O)NC3CCCC3)c(=O)c12
InChIInChI=1S/C26H31N5O3S/c1-17-21-24(27-16-31(25(21)33)18(2)23(32)28-19-8-6-7-9-19)35-22(17)26(34)30-14-12-29(13-15-30)20-10-4-3-5-11-20/h3-5,10-11,16,18-19H,6-9,12-15H2,1-2H3,(H,28,32)
InChIKeyCINQOFZUXREDRM-UHFFFAOYSA-N
MW493.63 g/mol
LogP3.35
Rot. Bonds5

About N-cyclopentyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]propanamide

N-cyclopentyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]propanamide (PubChem CID 25117403) has the molecular formula C26H31N5O3S and a molecular weight of 493.63 g/mol. Its IUPAC name is N-cyclopentyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]propanamide
PubChem CID25117403
Molecular FormulaC26H31N5O3S
Molecular Weight493.63 g/mol
Exact Mass493.21
IUPAC NameN-cyclopentyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]propanamide
SMILESCc1c(C(=O)N2CCN(c3ccccc3)CC2)sc2ncn(C(C)C(=O)NC3CCCC3)c(=O)c12
InChIInChI=1S/C26H31N5O3S/c1-17-21-24(27-16-31(25(21)33)18(2)23(32)28-19-8-6-7-9-19)35-22(17)26(34)30-14-12-29(13-15-30)20-10-4-3-5-11-20/h3-5,10-11,16,18-19H,6-9,12-15H2,1-2H3,(H,28,32)
InChIKeyCINQOFZUXREDRM-UHFFFAOYSA-N
XLogP3.35
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.63
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-cyclopentyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]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

2-[6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-cyclohexylacetamide;N-cyclohexyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide
CID 162215720
N,N-diethyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide
CID 22330668
3-(2-ethoxyethyl)-5-methyl-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one
CID 4065775
5-methyl-6-(4-phenylpiperazine-1-carbonyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 4991094
3-[1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 23409932
3-[1-(2,3-dimethylanilino)-1-oxopropan-2-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 23409683
6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3,5-dimethylthieno[2,3-d]pyrimidin-4-one
CID 51229450
(5-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(4-phenylpiperazin-1-yl)methanone
CID 4093269
6-(4-benzylpiperidine-1-carbonyl)-3,5-dimethylthieno[2,3-d]pyrimidin-4-one
CID 23825059
N-(2-methoxyphenyl)-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide
CID 5072120
3-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 23409628
[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 4154221

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]propanamide?
The IUPAC name of N-cyclopentyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]propanamide (CID 25117403) is N-cyclopentyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]propanamide?
The canonical SMILES for N-cyclopentyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]propanamide is Cc1c(C(=O)N2CCN(c3ccccc3)CC2)sc2ncn(C(C)C(=O)NC3CCCC3)c(=O)c12.
What is the InChIKey of N-cyclopentyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]propanamide?
The InChIKey is CINQOFZUXREDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3S/c1-17-21-24(27-16-31(25(21)33)18(2)23(32)28-19-8-6-7-9-19)35-22(17)26(34)30-14-12-29(13-15-30)20-10-4-3-5-11-20/h3-5,10-11,16,18-19H,6-9,12-15H2,1-2H3,(H,28,32).
What are the key properties of N-cyclopentyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]propanamide?
N-cyclopentyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]propanamide has a molecular weight of 493.63 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]propanamide is sourced from PubChem (CID 25117403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).