2-[[1-[2-(1H-indol-5-yl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N,N-dimethylacetamide

C26H25N5O3S — CID 129308124

IUPAC2-[[1-[2-(1H-indol-5-yl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1ccc2c(c1)N(c1nc(-c3ccc4[nH]ccc4c3)nc3c1CS(=O)C3)CC2
InChIInChI=1S/C26H25N5O3S/c1-30(2)24(32)13-34-19-5-3-16-8-10-31(23(16)12-19)26-20-14-35(33)15-22(20)28-25(29-26)18-4-6-21-17(11-18)7-9-27-21/h3-7,9,11-12,27H,8,10,13-15H2,1-2H3
InChIKeyZDQNCXQPLDXFAJ-UHFFFAOYSA-N
MW487.59 g/mol
LogP3.55
Rot. Bonds5

About 2-[[1-[2-(1H-indol-5-yl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N,N-dimethylacetamide

2-[[1-[2-(1H-indol-5-yl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N,N-dimethylacetamide (PubChem CID 129308124) has the molecular formula C26H25N5O3S and a molecular weight of 487.59 g/mol. Its IUPAC name is 2-[[1-[2-(1H-indol-5-yl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[1-[2-(1H-indol-5-yl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N,N-dimethylacetamide
PubChem CID129308124
Molecular FormulaC26H25N5O3S
Molecular Weight487.59 g/mol
Exact Mass487.17
IUPAC Name2-[[1-[2-(1H-indol-5-yl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1ccc2c(c1)N(c1nc(-c3ccc4[nH]ccc4c3)nc3c1CS(=O)C3)CC2
InChIInChI=1S/C26H25N5O3S/c1-30(2)24(32)13-34-19-5-3-16-8-10-31(23(16)12-19)26-20-14-35(33)15-22(20)28-25(29-26)18-4-6-21-17(11-18)7-9-27-21/h3-7,9,11-12,27H,8,10,13-15H2,1-2H3
InChIKeyZDQNCXQPLDXFAJ-UHFFFAOYSA-N
XLogP3.55
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.59
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[1-[2-(1H-indol-5-yl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N,N-dimethylacetamide with MolForge

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Related Compounds

N,N-dimethyl-2-[[1-[2-(4-methylsulfonylphenyl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]acetamide
CID 129308147
2-[[1-[2-(4-cyanophenyl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N,N-dimethylacetamide
CID 129308150
2-[[1-[2-(5-fluorothiophen-2-yl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 118693458
2-[1-[2-(1-benzofuran-5-yl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-5-yl]acetic acid
CID 86305107
2-[[1-[2-(5-chlorothiophen-2-yl)-6,6-dihydroxy-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N-ethylacetamide
CID 118693409
5-(2-methylprop-2-enoxy)-1H-indole
CID 80641089
3-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-2-(1H-indol-5-yl)quinoxaline-6-carboxylic acid
CID 70645708
tert-butyl 4-(1H-indol-5-yloxy)-5,6,7,9-tetrahydropyrido[2,3-c]azepine-8-carboxylate
CID 59394123
[3-(4-octylphenoxy)-2-oxopropyl] 1H-indole-5-carboxylate
CID 91347950
3-[2-(dimethylamino)-2-oxoethoxy]benzoic acid
CID 16769869
2-[7-(2,3-dihydro-1-benzofuran-7-yl)naphthalen-2-yl]oxy-N,N-dimethylacetamide
CID 172656583
5-[5-[(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)oxy]-2-pyridinyl]-1H-indole
CID 50915100

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(1H-indol-5-yl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[1-[2-(1H-indol-5-yl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N,N-dimethylacetamide (CID 129308124) is 2-[[1-[2-(1H-indol-5-yl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[1-[2-(1H-indol-5-yl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[1-[2-(1H-indol-5-yl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N,N-dimethylacetamide is CN(C)C(=O)COc1ccc2c(c1)N(c1nc(-c3ccc4[nH]ccc4c3)nc3c1CS(=O)C3)CC2.
What is the InChIKey of 2-[[1-[2-(1H-indol-5-yl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N,N-dimethylacetamide?
The InChIKey is ZDQNCXQPLDXFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3S/c1-30(2)24(32)13-34-19-5-3-16-8-10-31(23(16)12-19)26-20-14-35(33)15-22(20)28-25(29-26)18-4-6-21-17(11-18)7-9-27-21/h3-7,9,11-12,27H,8,10,13-15H2,1-2H3.
What are the key properties of 2-[[1-[2-(1H-indol-5-yl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N,N-dimethylacetamide?
2-[[1-[2-(1H-indol-5-yl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N,N-dimethylacetamide has a molecular weight of 487.59 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(1H-indol-5-yl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N,N-dimethylacetamide is sourced from PubChem (CID 129308124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).