2-[1-[2-(5-fluorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-oxo-3H-indol-5-yl]acetic acid

C21H16FN3O3S — CID 118693330

IUPAC2-[1-[2-(5-fluorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-oxo-3H-indol-5-yl]acetic acid
SMILESO=C(O)Cc1ccc2c(c1)CC(=O)N2c1nc(-c2ccc(F)s2)nc2c1CCC2
InChIInChI=1S/C21H16FN3O3S/c22-17-7-6-16(29-17)20-23-14-3-1-2-13(14)21(24-20)25-15-5-4-11(9-19(27)28)8-12(15)10-18(25)26/h4-8H,1-3,9-10H2,(H,27,28)
InChIKeyKUHONZWCYFRHNF-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.68
Rot. Bonds4

About 2-[1-[2-(5-fluorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-oxo-3H-indol-5-yl]acetic acid

2-[1-[2-(5-fluorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-oxo-3H-indol-5-yl]acetic acid (PubChem CID 118693330) has the molecular formula C21H16FN3O3S and a molecular weight of 409.44 g/mol. Its IUPAC name is 2-[1-[2-(5-fluorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-oxo-3H-indol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(5-fluorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-oxo-3H-indol-5-yl]acetic acid
PubChem CID118693330
Molecular FormulaC21H16FN3O3S
Molecular Weight409.44 g/mol
Exact Mass409.09
IUPAC Name2-[1-[2-(5-fluorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-oxo-3H-indol-5-yl]acetic acid
SMILESO=C(O)Cc1ccc2c(c1)CC(=O)N2c1nc(-c2ccc(F)s2)nc2c1CCC2
InChIInChI=1S/C21H16FN3O3S/c22-17-7-6-16(29-17)20-23-14-3-1-2-13(14)21(24-20)25-15-5-4-11(9-19(27)28)8-12(15)10-18(25)26/h4-8H,1-3,9-10H2,(H,27,28)
InChIKeyKUHONZWCYFRHNF-UHFFFAOYSA-N
XLogP3.68
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-(5-fluorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2,3-dihydroindol-5-yl]acetic acid
CID 118693334
ethyl 2-[1-[2-(5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]indazol-5-yl]acetate
CID 118693425
2-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid
CID 20618502
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-(7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid
CID 82451440
ethane;2-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetic acid
CID 143844110
2-[4-[(E)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethenyl]phenyl]acetic acid
CID 167745753
2-[[1-[2-(5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N-(oxetan-3-yl)acetamide
CID 118693465
2-[4-[[2-(5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]phenyl]acetamide
CID 74221039
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 38493203
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
5-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-3H-indol-2-one
CID 110768313

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(5-fluorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-oxo-3H-indol-5-yl]acetic acid?
The IUPAC name of 2-[1-[2-(5-fluorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-oxo-3H-indol-5-yl]acetic acid (CID 118693330) is 2-[1-[2-(5-fluorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-oxo-3H-indol-5-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(5-fluorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-oxo-3H-indol-5-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(5-fluorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-oxo-3H-indol-5-yl]acetic acid is O=C(O)Cc1ccc2c(c1)CC(=O)N2c1nc(-c2ccc(F)s2)nc2c1CCC2.
What is the InChIKey of 2-[1-[2-(5-fluorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-oxo-3H-indol-5-yl]acetic acid?
The InChIKey is KUHONZWCYFRHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3S/c22-17-7-6-16(29-17)20-23-14-3-1-2-13(14)21(24-20)25-15-5-4-11(9-19(27)28)8-12(15)10-18(25)26/h4-8H,1-3,9-10H2,(H,27,28).
What are the key properties of 2-[1-[2-(5-fluorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-oxo-3H-indol-5-yl]acetic acid?
2-[1-[2-(5-fluorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-oxo-3H-indol-5-yl]acetic acid has a molecular weight of 409.44 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(5-fluorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2-oxo-3H-indol-5-yl]acetic acid is sourced from PubChem (CID 118693330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).