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

C24H23FN4O3S2 — CID 118693458

IUPAC2-[[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
SMILESO=C(COc1ccc2c(c1)N(c1nc(-c3ccc(F)s3)nc3c1CS(=O)C3)CC2)N1CCCC1
InChIInChI=1S/C24H23FN4O3S2/c25-21-6-5-20(33-21)23-26-18-14-34(31)13-17(18)24(27-23)29-10-7-15-3-4-16(11-19(15)29)32-12-22(30)28-8-1-2-9-28/h3-6,11H,1-2,7-10,12-14H2
InChIKeyAEIXOGJUAIUCJX-UHFFFAOYSA-N
MW498.61 g/mol
LogP3.80
Rot. Bonds5

About 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

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 (PubChem CID 118693458) has the molecular formula C24H23FN4O3S2 and a molecular weight of 498.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[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
PubChem CID118693458
Molecular FormulaC24H23FN4O3S2
Molecular Weight498.61 g/mol
Exact Mass498.12
IUPAC Name2-[[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
SMILESO=C(COc1ccc2c(c1)N(c1nc(-c3ccc(F)s3)nc3c1CS(=O)C3)CC2)N1CCCC1
InChIInChI=1S/C24H23FN4O3S2/c25-21-6-5-20(33-21)23-26-18-14-34(31)13-17(18)24(27-23)29-10-7-15-3-4-16(11-19(15)29)32-12-22(30)28-8-1-2-9-28/h3-6,11H,1-2,7-10,12-14H2
InChIKeyAEIXOGJUAIUCJX-UHFFFAOYSA-N
XLogP3.80
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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-(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-(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-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
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
2-(3,4-dichlorophenoxy)-1-pyrrolidin-1-ylethanone
CID 2995974
2-(3-bromo-4-fluorophenoxy)-1-pyrrolidin-1-ylethanone
CID 83235326
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone
CID 18152944
1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)ethanone
CID 112836293
2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone
CID 178065020
1-(azepan-1-yl)-2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]ethanone
CID 107684569
1-(azocan-1-yl)-2-[4-(4-fluorobenzoyl)phenoxy]ethanone
CID 55397362

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(COc1ccc2c(c1)N(c1nc(-c3ccc(F)s3)nc3c1CS(=O)C3)CC2)N1CCCC1.
What is the InChIKey of 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?
The InChIKey is AEIXOGJUAIUCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3S2/c25-21-6-5-20(33-21)23-26-18-14-34(31)13-17(18)24(27-23)29-10-7-15-3-4-16(11-19(15)29)32-12-22(30)28-8-1-2-9-28/h3-6,11H,1-2,7-10,12-14H2.
What are the key properties of 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?
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 has a molecular weight of 498.61 g/mol, XLogP of 3.80, 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)-6-oxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 118693458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).