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

C25H23N5O3S — CID 129308150

IUPAC2-[[1-[2-(4-cyanophenyl)-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(-c3ccc(C#N)cc3)nc3c1CS(=O)C3)CC2
InChIInChI=1S/C25H23N5O3S/c1-29(2)23(31)13-33-19-8-7-17-9-10-30(22(17)11-19)25-20-14-34(32)15-21(20)27-24(28-25)18-5-3-16(12-26)4-6-18/h3-8,11H,9-10,13-15H2,1-2H3
InChIKeySAHHMOZCIFXJMP-UHFFFAOYSA-N
MW473.56 g/mol
LogP2.94
Rot. Bonds5

About 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

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 (PubChem CID 129308150) has the molecular formula C25H23N5O3S and a molecular weight of 473.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[1-[2-(4-cyanophenyl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N,N-dimethylacetamide
PubChem CID129308150
Molecular FormulaC25H23N5O3S
Molecular Weight473.56 g/mol
Exact Mass473.15
IUPAC Name2-[[1-[2-(4-cyanophenyl)-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(-c3ccc(C#N)cc3)nc3c1CS(=O)C3)CC2
InChIInChI=1S/C25H23N5O3S/c1-29(2)23(31)13-33-19-8-7-17-9-10-30(22(17)11-19)25-20-14-34(32)15-21(20)27-24(28-25)18-5-3-16(12-26)4-6-18/h3-8,11H,9-10,13-15H2,1-2H3
InChIKeySAHHMOZCIFXJMP-UHFFFAOYSA-N
XLogP2.94
TPSA99.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 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-(3-fluoro-4-hydroxyphenyl)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N,N-dimethylacetamide
CID 137006896
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
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-(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
2-(4-cyanophenoxy)-N-cyclopropyl-N-methylacetamide
CID 43243621
2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]-N,N-dimethylacetamide
CID 9019849
2-(4-cyanophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 63211324
2-(4-cyanophenoxy)-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 47402694
3-[2-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzonitrile
CID 25477722
2-[[2-(4-cyanophenoxy)acetyl]-cyclopropylamino]acetic acid
CID 60825080
4-[4-[2-(5-nitro-2,3-dihydroindol-1-yl)-2-oxoethoxy]phenyl]benzonitrile
CID 37323066

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)C(=O)COc1ccc2c(c1)N(c1nc(-c3ccc(C#N)cc3)nc3c1CS(=O)C3)CC2.
What is the InChIKey of 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?
The InChIKey is SAHHMOZCIFXJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3S/c1-29(2)23(31)13-33-19-8-7-17-9-10-30(22(17)11-19)25-20-14-34(32)15-21(20)27-24(28-25)18-5-3-16(12-26)4-6-18/h3-8,11H,9-10,13-15H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 473.56 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 129308150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).