1-[2-[4-[1-(4-fluorophenyl)-5-pyridin-3-ylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one

C29H30FN5O — CID 11826976

IUPAC1-[2-[4-[1-(4-fluorophenyl)-5-pyridin-3-ylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cccnc4)cc23)CC1
InChIInChI=1S/C29H30FN5O/c30-24-4-6-25(7-5-24)35-20-27(26-18-22(3-8-28(26)35)23-2-1-11-31-19-23)21-9-13-33(14-10-21)16-17-34-15-12-32-29(34)36/h1-8,11,18-21H,9-10,12-17H2,(H,32,36)
InChIKeyGWZCTNJFVWRKTG-UHFFFAOYSA-N
MW483.59 g/mol
LogP5.04
Rot. Bonds6

About 1-[2-[4-[1-(4-fluorophenyl)-5-pyridin-3-ylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one

1-[2-[4-[1-(4-fluorophenyl)-5-pyridin-3-ylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 11826976) has the molecular formula C29H30FN5O and a molecular weight of 483.59 g/mol. Its IUPAC name is 1-[2-[4-[1-(4-fluorophenyl)-5-pyridin-3-ylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[1-(4-fluorophenyl)-5-pyridin-3-ylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
PubChem CID11826976
Molecular FormulaC29H30FN5O
Molecular Weight483.59 g/mol
Exact Mass483.24
IUPAC Name1-[2-[4-[1-(4-fluorophenyl)-5-pyridin-3-ylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cccnc4)cc23)CC1
InChIInChI=1S/C29H30FN5O/c30-24-4-6-25(7-5-24)35-20-27(26-18-22(3-8-28(26)35)23-2-1-11-31-19-23)21-9-13-33(14-10-21)16-17-34-15-12-32-29(34)36/h1-8,11,18-21H,9-10,12-17H2,(H,32,36)
InChIKeyGWZCTNJFVWRKTG-UHFFFAOYSA-N
XLogP5.04
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.59
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[1-(4-fluorophenyl)-5-pyridin-3-ylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-[1-(4-fluorophenyl)-5-pyridin-3-ylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one (CID 11826976) is 1-[2-[4-[1-(4-fluorophenyl)-5-pyridin-3-ylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-[1-(4-fluorophenyl)-5-pyridin-3-ylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-[1-(4-fluorophenyl)-5-pyridin-3-ylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one is O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cccnc4)cc23)CC1.
What is the InChIKey of 1-[2-[4-[1-(4-fluorophenyl)-5-pyridin-3-ylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is GWZCTNJFVWRKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN5O/c30-24-4-6-25(7-5-24)35-20-27(26-18-22(3-8-28(26)35)23-2-1-11-31-19-23)21-9-13-33(14-10-21)16-17-34-15-12-32-29(34)36/h1-8,11,18-21H,9-10,12-17H2,(H,32,36).
What are the key properties of 1-[2-[4-[1-(4-fluorophenyl)-5-pyridin-3-ylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
1-[2-[4-[1-(4-fluorophenyl)-5-pyridin-3-ylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 483.59 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[1-(4-fluorophenyl)-5-pyridin-3-ylindol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 11826976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).