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

C22H21FN4O2S2 — CID 118693447

IUPAC2-[[1-[2-(5-fluorothiophen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-4-yl]oxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1cccc2c1CCN2c1nc(-c2ccc(F)s2)nc2c1CSC2
InChIInChI=1S/C22H21FN4O2S2/c1-26(2)20(28)10-29-17-5-3-4-16-13(17)8-9-27(16)22-14-11-30-12-15(14)24-21(25-22)18-6-7-19(23)31-18/h3-7H,8-12H2,1-2H3
InChIKeyVLWRBZQRZJBAEE-UHFFFAOYSA-N
MW456.57 g/mol
LogP4.25
Rot. Bonds5

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

2-[[1-[2-(5-fluorothiophen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-4-yl]oxy]-N,N-dimethylacetamide (PubChem CID 118693447) has the molecular formula C22H21FN4O2S2 and a molecular weight of 456.57 g/mol. Its IUPAC name is 2-[[1-[2-(5-fluorothiophen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-4-yl]oxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[1-[2-(5-fluorothiophen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-4-yl]oxy]-N,N-dimethylacetamide
PubChem CID118693447
Molecular FormulaC22H21FN4O2S2
Molecular Weight456.57 g/mol
Exact Mass456.11
IUPAC Name2-[[1-[2-(5-fluorothiophen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-4-yl]oxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1cccc2c1CCN2c1nc(-c2ccc(F)s2)nc2c1CSC2
InChIInChI=1S/C22H21FN4O2S2/c1-26(2)20(28)10-29-17-5-3-4-16-13(17)8-9-27(16)22-14-11-30-12-15(14)24-21(25-22)18-6-7-19(23)31-18/h3-7H,8-12H2,1-2H3
InChIKeyVLWRBZQRZJBAEE-UHFFFAOYSA-N
XLogP4.25
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

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-(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-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-N,N-dimethylacetamide
CID 82248895
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-(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
3-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]pyridine-2-carboxylic acid
CID 54957131
2-(2-carbamimidoyl-3-fluorophenoxy)-N,N-dimethylacetamide
CID 82240685
2-[2-(4-benzoylpiperazine-1-carbonyl)phenoxy]-N,N-dimethylacetamide
CID 46643290
2-(4-ethoxy-2,3-dihydroindol-1-yl)acetic acid
CID 121202435
2-(2-chlorophenoxy)-N,N-dimethylacetamide
CID 28639790
2-[(1-pentanoyl-2,3-dihydroindol-4-yl)oxy]acetic acid
CID 59281726
2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]-N,N-dimethylacetamide
CID 107696376

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(5-fluorothiophen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-4-yl]oxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[1-[2-(5-fluorothiophen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-4-yl]oxy]-N,N-dimethylacetamide (CID 118693447) is 2-[[1-[2-(5-fluorothiophen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-4-yl]oxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[1-[2-(5-fluorothiophen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-4-yl]oxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[1-[2-(5-fluorothiophen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-4-yl]oxy]-N,N-dimethylacetamide is CN(C)C(=O)COc1cccc2c1CCN2c1nc(-c2ccc(F)s2)nc2c1CSC2.
What is the InChIKey of 2-[[1-[2-(5-fluorothiophen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-4-yl]oxy]-N,N-dimethylacetamide?
The InChIKey is VLWRBZQRZJBAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2S2/c1-26(2)20(28)10-29-17-5-3-4-16-13(17)8-9-27(16)22-14-11-30-12-15(14)24-21(25-22)18-6-7-19(23)31-18/h3-7H,8-12H2,1-2H3.
What are the key properties of 2-[[1-[2-(5-fluorothiophen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-4-yl]oxy]-N,N-dimethylacetamide?
2-[[1-[2-(5-fluorothiophen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-4-yl]oxy]-N,N-dimethylacetamide has a molecular weight of 456.57 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(5-fluorothiophen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-4-yl]oxy]-N,N-dimethylacetamide is sourced from PubChem (CID 118693447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).