3-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-5-fluoro-1,3-dihydroindol-2-one

C15H11ClFN3O — CID 50995174

IUPAC3-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-5-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1c1nc(Cl)nc2c1CCC2
InChIInChI=1S/C15H11ClFN3O/c16-15-19-10-3-1-2-8(10)13(20-15)12-9-6-7(17)4-5-11(9)18-14(12)21/h4-6,12H,1-3H2,(H,18,21)
InChIKeyNQWMKOJZHNKAOM-UHFFFAOYSA-N
MW303.72 g/mol
LogP2.84
Rot. Bonds1

About 3-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-5-fluoro-1,3-dihydroindol-2-one

3-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-5-fluoro-1,3-dihydroindol-2-one (PubChem CID 50995174) has the molecular formula C15H11ClFN3O and a molecular weight of 303.72 g/mol. Its IUPAC name is 3-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-5-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-5-fluoro-1,3-dihydroindol-2-one
PubChem CID50995174
Molecular FormulaC15H11ClFN3O
Molecular Weight303.72 g/mol
Exact Mass303.06
IUPAC Name3-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-5-fluoro-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1c1nc(Cl)nc2c1CCC2
InChIInChI=1S/C15H11ClFN3O/c16-15-19-10-3-1-2-8(10)13(20-15)12-9-6-7(17)4-5-11(9)18-14(12)21/h4-6,12H,1-3H2,(H,18,21)
InChIKeyNQWMKOJZHNKAOM-UHFFFAOYSA-N
XLogP2.84
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-5-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 3-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-5-fluoro-1,3-dihydroindol-2-one (CID 50995174) is 3-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-5-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-5-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-5-fluoro-1,3-dihydroindol-2-one is O=C1Nc2ccc(F)cc2C1c1nc(Cl)nc2c1CCC2.
What is the InChIKey of 3-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-5-fluoro-1,3-dihydroindol-2-one?
The InChIKey is NQWMKOJZHNKAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O/c16-15-19-10-3-1-2-8(10)13(20-15)12-9-6-7(17)4-5-11(9)18-14(12)21/h4-6,12H,1-3H2,(H,18,21).
What are the key properties of 3-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-5-fluoro-1,3-dihydroindol-2-one?
3-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-5-fluoro-1,3-dihydroindol-2-one has a molecular weight of 303.72 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-5-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 50995174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).