6-[2-(3-fluoropyrrolidin-1-yl)ethyl]-9-(1,3-oxazol-2-yl)-1,2-dihydrocyclopenta[c]carbazol-3-one

C24H22FN3O2 — CID 123180546

IUPAC6-[2-(3-fluoropyrrolidin-1-yl)ethyl]-9-(1,3-oxazol-2-yl)-1,2-dihydrocyclopenta[c]carbazol-3-one
SMILESO=C1CCc2c1ccc1c2c2cc(-c3ncco3)ccc2n1CCN1CCC(F)C1
InChIInChI=1S/C24H22FN3O2/c25-16-7-9-27(14-16)10-11-28-20-4-1-15(24-26-8-12-30-24)13-19(20)23-18-3-6-22(29)17(18)2-5-21(23)28/h1-2,4-5,8,12-13,16H,3,6-7,9-11,14H2
InChIKeyUVBWDCJVTMWSQK-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.62
Rot. Bonds4

About 6-[2-(3-fluoropyrrolidin-1-yl)ethyl]-9-(1,3-oxazol-2-yl)-1,2-dihydrocyclopenta[c]carbazol-3-one

6-[2-(3-fluoropyrrolidin-1-yl)ethyl]-9-(1,3-oxazol-2-yl)-1,2-dihydrocyclopenta[c]carbazol-3-one (PubChem CID 123180546) has the molecular formula C24H22FN3O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is 6-[2-(3-fluoropyrrolidin-1-yl)ethyl]-9-(1,3-oxazol-2-yl)-1,2-dihydrocyclopenta[c]carbazol-3-one.

Molecular Properties

Compound Name6-[2-(3-fluoropyrrolidin-1-yl)ethyl]-9-(1,3-oxazol-2-yl)-1,2-dihydrocyclopenta[c]carbazol-3-one
PubChem CID123180546
Molecular FormulaC24H22FN3O2
Molecular Weight403.46 g/mol
Exact Mass403.17
IUPAC Name6-[2-(3-fluoropyrrolidin-1-yl)ethyl]-9-(1,3-oxazol-2-yl)-1,2-dihydrocyclopenta[c]carbazol-3-one
SMILESO=C1CCc2c1ccc1c2c2cc(-c3ncco3)ccc2n1CCN1CCC(F)C1
InChIInChI=1S/C24H22FN3O2/c25-16-7-9-27(14-16)10-11-28-20-4-1-15(24-26-8-12-30-24)13-19(20)23-18-3-6-22(29)17(18)2-5-21(23)28/h1-2,4-5,8,12-13,16H,3,6-7,9-11,14H2
InChIKeyUVBWDCJVTMWSQK-UHFFFAOYSA-N
XLogP4.62
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-fluoropyrrolidin-1-yl)ethyl]-9-(1,3-oxazol-2-yl)-1,2-dihydrocyclopenta[c]carbazol-3-one?
The IUPAC name of 6-[2-(3-fluoropyrrolidin-1-yl)ethyl]-9-(1,3-oxazol-2-yl)-1,2-dihydrocyclopenta[c]carbazol-3-one (CID 123180546) is 6-[2-(3-fluoropyrrolidin-1-yl)ethyl]-9-(1,3-oxazol-2-yl)-1,2-dihydrocyclopenta[c]carbazol-3-one.
What is the SMILES notation for 6-[2-(3-fluoropyrrolidin-1-yl)ethyl]-9-(1,3-oxazol-2-yl)-1,2-dihydrocyclopenta[c]carbazol-3-one?
The canonical SMILES for 6-[2-(3-fluoropyrrolidin-1-yl)ethyl]-9-(1,3-oxazol-2-yl)-1,2-dihydrocyclopenta[c]carbazol-3-one is O=C1CCc2c1ccc1c2c2cc(-c3ncco3)ccc2n1CCN1CCC(F)C1.
What is the InChIKey of 6-[2-(3-fluoropyrrolidin-1-yl)ethyl]-9-(1,3-oxazol-2-yl)-1,2-dihydrocyclopenta[c]carbazol-3-one?
The InChIKey is UVBWDCJVTMWSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2/c25-16-7-9-27(14-16)10-11-28-20-4-1-15(24-26-8-12-30-24)13-19(20)23-18-3-6-22(29)17(18)2-5-21(23)28/h1-2,4-5,8,12-13,16H,3,6-7,9-11,14H2.
What are the key properties of 6-[2-(3-fluoropyrrolidin-1-yl)ethyl]-9-(1,3-oxazol-2-yl)-1,2-dihydrocyclopenta[c]carbazol-3-one?
6-[2-(3-fluoropyrrolidin-1-yl)ethyl]-9-(1,3-oxazol-2-yl)-1,2-dihydrocyclopenta[c]carbazol-3-one has a molecular weight of 403.46 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-fluoropyrrolidin-1-yl)ethyl]-9-(1,3-oxazol-2-yl)-1,2-dihydrocyclopenta[c]carbazol-3-one is sourced from PubChem (CID 123180546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).