1-(2-hydroxyethyl)-4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-2-one

C24H27N7O3S — CID 11677621

IUPAC1-(2-hydroxyethyl)-4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-2-one
SMILESO=C1CN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CCN1CCO
InChIInChI=1S/C24H27N7O3S/c32-9-6-30-5-4-29(15-21(30)33)14-16-12-20-22(35-16)24(31-7-10-34-11-8-31)27-23(26-20)17-2-1-3-19-18(17)13-25-28-19/h1-3,12-13,32H,4-11,14-15H2,(H,25,28)
InChIKeyPMUVAHPHLZYKCA-UHFFFAOYSA-N
MW493.59 g/mol
LogP1.71
Rot. Bonds6

About 1-(2-hydroxyethyl)-4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-2-one

1-(2-hydroxyethyl)-4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-2-one (PubChem CID 11677621) has the molecular formula C24H27N7O3S and a molecular weight of 493.59 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-2-one
PubChem CID11677621
Molecular FormulaC24H27N7O3S
Molecular Weight493.59 g/mol
Exact Mass493.19
IUPAC Name1-(2-hydroxyethyl)-4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-2-one
SMILESO=C1CN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CCN1CCO
InChIInChI=1S/C24H27N7O3S/c32-9-6-30-5-4-29(15-21(30)33)14-16-12-20-22(35-16)24(31-7-10-34-11-8-31)27-23(26-20)17-2-1-3-19-18(17)13-25-28-19/h1-3,12-13,32H,4-11,14-15H2,(H,25,28)
InChIKeyPMUVAHPHLZYKCA-UHFFFAOYSA-N
XLogP1.71
TPSA110.71 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-(2-hydroxyethyl)-4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-2-one 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

1-(2-hydroxyethyl)-4-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-2-one
CID 24938258
4-[2-(1H-indazol-4-yl)-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 11692075
4-[2-(1H-indazol-4-yl)-6-[(4-morpholin-4-ylsulfonylpiperidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59688554
4-[2-(1H-indazol-4-yl)-6-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 11706409
2-[2-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]sulfonylethyl]isoindole-1,3-dione
CID 58491763
(3R)-1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidine-3-carboxylic acid;methanamine
CID 160660217
1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylpyrrolidin-3-amine
CID 143572078
2-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanol
CID 174682351
4-[2-(1H-indazol-4-yl)-6-[[4-(4-methylpiperazin-1-yl)sulfonylpiperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59688524
1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-methylhept-5-ene-1,4-dione
CID 58441401
4-[6-(imidazol-1-ylmethyl)-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59593033
4-[6-(1,5-dihydropyrazol-2-ylmethyl)-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 130241331

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-2-one?
The IUPAC name of 1-(2-hydroxyethyl)-4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-2-one (CID 11677621) is 1-(2-hydroxyethyl)-4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-2-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-2-one?
The canonical SMILES for 1-(2-hydroxyethyl)-4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-2-one is O=C1CN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CCN1CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-2-one?
The InChIKey is PMUVAHPHLZYKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O3S/c32-9-6-30-5-4-29(15-21(30)33)14-16-12-20-22(35-16)24(31-7-10-34-11-8-31)27-23(26-20)17-2-1-3-19-18(17)13-25-28-19/h1-3,12-13,32H,4-11,14-15H2,(H,25,28).
What are the key properties of 1-(2-hydroxyethyl)-4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-2-one?
1-(2-hydroxyethyl)-4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-2-one has a molecular weight of 493.59 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-2-one is sourced from PubChem (CID 11677621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).