1-[2-[4-[1-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one

C27H29FN4O — CID 57290100

IUPAC1-[2-[4-[1-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN1CC=C(c2cn(-c3ccc(F)cc3)c3cc4c(cc23)CCC4)CC1
InChIInChI=1S/C27H29FN4O/c28-22-4-6-23(7-5-22)32-18-25(24-16-20-2-1-3-21(20)17-26(24)32)19-8-11-30(12-9-19)14-15-31-13-10-29-27(31)33/h4-8,16-18H,1-3,9-15H2,(H,29,33)
InChIKeyQCSFXIIEPBKNKO-UHFFFAOYSA-N
MW444.55 g/mol
LogP4.37
Rot. Bonds5

About 1-[2-[4-[1-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one

1-[2-[4-[1-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 57290100) has the molecular formula C27H29FN4O and a molecular weight of 444.55 g/mol. Its IUPAC name is 1-[2-[4-[1-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[1-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one
PubChem CID57290100
Molecular FormulaC27H29FN4O
Molecular Weight444.55 g/mol
Exact Mass444.23
IUPAC Name1-[2-[4-[1-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN1CC=C(c2cn(-c3ccc(F)cc3)c3cc4c(cc23)CCC4)CC1
InChIInChI=1S/C27H29FN4O/c28-22-4-6-23(7-5-22)32-18-25(24-16-20-2-1-3-21(20)17-26(24)32)19-8-11-30(12-9-19)14-15-31-13-10-29-27(31)33/h4-8,16-18H,1-3,9-15H2,(H,29,33)
InChIKeyQCSFXIIEPBKNKO-UHFFFAOYSA-N
XLogP4.37
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.55
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[4-[1-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one with MolForge

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Related Compounds

1-[2-[4-[1-(4-fluorophenyl)-5-(2-methyl-3H-pyrazol-1-yl)indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one
CID 18177244
1-[2-[4-[1-(4-fluorophenyl)-5-(2H-triazol-4-yl)indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one
CID 11081194
methyl 4-[5-chloro-3-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]indol-1-yl]benzoate
CID 101339440
1-[2-[4-[1-(2-fluorophenyl)-5-nitroindol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one
CID 19753558
1-[2-[4-[3-(4-fluorophenyl)-5-(trifluoromethyl)indol-1-yl]pyridin-1-ium-1-yl]ethyl]imidazolidin-2-one
CID 54561784
1-(4-fluorophenyl)-5-(2-methyltetrazol-5-yl)-3-[1-[2-(2H-tetrazol-5-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]indole
CID 18177219
5-chloro-1-(4-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole
CID 15648963
1-[2-[4-[1-(4-fluorophenyl)-5-(1-(111C)methyltriazol-4-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
CID 70682616
1-[2-[4-[1-(4-fluorophenyl)-5-(3-methyltriazol-4-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
CID 11827039
1-[2-[4-[1-(4-fluorophenyl)-5-(1-methyltetrazol-5-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
CID 11038263
7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline
CID 59259410
1-[2-[4-(6-methyl-1-pyridin-4-ylindol-3-yl)piperidin-1-yl]ethyl]imidazolidin-2-one
CID 19379840

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[1-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-[1-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one (CID 57290100) is 1-[2-[4-[1-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-[1-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-[1-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one is O=C1NCCN1CCN1CC=C(c2cn(-c3ccc(F)cc3)c3cc4c(cc23)CCC4)CC1.
What is the InChIKey of 1-[2-[4-[1-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is QCSFXIIEPBKNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN4O/c28-22-4-6-23(7-5-22)32-18-25(24-16-20-2-1-3-21(20)17-26(24)32)19-8-11-30(12-9-19)14-15-31-13-10-29-27(31)33/h4-8,16-18H,1-3,9-15H2,(H,29,33).
What are the key properties of 1-[2-[4-[1-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one?
1-[2-[4-[1-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 444.55 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[1-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[f]indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 57290100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).