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

C21H18FN3O2S — CID 118693334

IUPAC2-[1-[2-(5-fluorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2,3-dihydroindol-5-yl]acetic acid
SMILESO=C(O)Cc1ccc2c(c1)CCN2c1nc(-c2ccc(F)s2)nc2c1CCC2
InChIInChI=1S/C21H18FN3O2S/c22-18-7-6-17(28-18)20-23-15-3-1-2-14(15)21(24-20)25-9-8-13-10-12(11-19(26)27)4-5-16(13)25/h4-7,10H,1-3,8-9,11H2,(H,26,27)
InChIKeyJYTPLJMNLVBMOC-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.15
Rot. Bonds4

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

2-[1-[2-(5-fluorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2,3-dihydroindol-5-yl]acetic acid (PubChem CID 118693334) has the molecular formula C21H18FN3O2S and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-[1-[2-(5-fluorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2,3-dihydroindol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(5-fluorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2,3-dihydroindol-5-yl]acetic acid
PubChem CID118693334
Molecular FormulaC21H18FN3O2S
Molecular Weight395.46 g/mol
Exact Mass395.11
IUPAC Name2-[1-[2-(5-fluorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2,3-dihydroindol-5-yl]acetic acid
SMILESO=C(O)Cc1ccc2c(c1)CCN2c1nc(-c2ccc(F)s2)nc2c1CCC2
InChIInChI=1S/C21H18FN3O2S/c22-18-7-6-17(28-18)20-23-15-3-1-2-14(15)21(24-20)25-9-8-13-10-12(11-19(26)27)4-5-16(13)25/h4-7,10H,1-3,8-9,11H2,(H,26,27)
InChIKeyJYTPLJMNLVBMOC-UHFFFAOYSA-N
XLogP4.15
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.15
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-oxo-3H-indol-5-yl]acetic acid
CID 118693330
2-[1-[2-(5-chlorothiophen-2-yl)-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-2,3-dihydroindol-5-yl]-N-ethylacetamide
CID 118693434
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-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)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2,3-dihydroindol-6-yl]oxy]-N-(oxetan-3-yl)acetamide
CID 118693465
2-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid
CID 20618502
ethyl 2-[1-[2-(5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]indazol-5-yl]acetate
CID 118693425
1-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydro-2H-quinoline
CID 157029786
2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]acetic acid
CID 129145060
2-(7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)acetic acid
CID 82451440
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-[(E)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethenyl]phenyl]acetic acid
CID 167745753

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]-2,3-dihydroindol-5-yl]acetic acid?
The IUPAC name of 2-[1-[2-(5-fluorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2,3-dihydroindol-5-yl]acetic acid (CID 118693334) is 2-[1-[2-(5-fluorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2,3-dihydroindol-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]-2,3-dihydroindol-5-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(5-fluorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2,3-dihydroindol-5-yl]acetic acid is O=C(O)Cc1ccc2c(c1)CCN2c1nc(-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]-2,3-dihydroindol-5-yl]acetic acid?
The InChIKey is JYTPLJMNLVBMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2S/c22-18-7-6-17(28-18)20-23-15-3-1-2-14(15)21(24-20)25-9-8-13-10-12(11-19(26)27)4-5-16(13)25/h4-7,10H,1-3,8-9,11H2,(H,26,27).
What are the key properties of 2-[1-[2-(5-fluorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2,3-dihydroindol-5-yl]acetic acid?
2-[1-[2-(5-fluorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2,3-dihydroindol-5-yl]acetic acid has a molecular weight of 395.46 g/mol, XLogP of 4.15, 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]-2,3-dihydroindol-5-yl]acetic acid is sourced from PubChem (CID 118693334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).