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

C24H25F4N5O — CID 54240441

IUPAC1-[2-[4-[3-(4-fluorophenyl)-5-(trifluoromethyl)indazol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN1CCC(n2nc(-c3ccc(F)cc3)c3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C24H25F4N5O/c25-18-4-1-16(2-5-18)22-20-15-17(24(26,27)28)3-6-21(20)33(30-22)19-7-10-31(11-8-19)13-14-32-12-9-29-23(32)34/h1-6,15,19H,7-14H2,(H,29,34)
InChIKeyQPQAQOZRHNMECV-UHFFFAOYSA-N
MW475.49 g/mol
LogP4.52
Rot. Bonds5

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

1-[2-[4-[3-(4-fluorophenyl)-5-(trifluoromethyl)indazol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 54240441) has the molecular formula C24H25F4N5O and a molecular weight of 475.49 g/mol. Its IUPAC name is 1-[2-[4-[3-(4-fluorophenyl)-5-(trifluoromethyl)indazol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[3-(4-fluorophenyl)-5-(trifluoromethyl)indazol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
PubChem CID54240441
Molecular FormulaC24H25F4N5O
Molecular Weight475.49 g/mol
Exact Mass475.20
IUPAC Name1-[2-[4-[3-(4-fluorophenyl)-5-(trifluoromethyl)indazol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN1CCC(n2nc(-c3ccc(F)cc3)c3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C24H25F4N5O/c25-18-4-1-16(2-5-18)22-20-15-17(24(26,27)28)3-6-21(20)33(30-22)19-7-10-31(11-8-19)13-14-32-12-9-29-23(32)34/h1-6,15,19H,7-14H2,(H,29,34)
InChIKeyQPQAQOZRHNMECV-UHFFFAOYSA-N
XLogP4.52
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.49
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-pyrazol-3-yl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
CID 11049209
1-(4-Fluorophenyl)-5-trifluoromethyl-3-[1-[2-(2-oxo-1-imidazolidinyl)ethyl]-4-piperidinyl]-1H-indole
CID 15006458
1-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-3,5-difluorophenyl}methyl)-3-1H-indazol-4-ylurea
CID 16748373
1-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-2,5-difluorophenyl}methyl)-3-1H-indazol-4-ylurea
CID 16748374
1-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-3-(trifluoromethyl)phenyl}methyl)-3-1H-indazol-4-ylurea
CID 16749353
1-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-3-fluorophenyl}methyl)-3-1H-indazol-4-ylurea
CID 16749355
1-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-2,3-difluorophenyl}methyl)-3-1H-indazol-4-ylurea
CID 16749462
1-[(1-ethyl-2,3-dihydro-1H-indol-5-yl)methyl]-3-(1-methyl-1H-indazol-4-yl)urea
CID 16749467
8-[2-[(3S,4S)-3-fluoropiperidin-4-yl]-7-(trifluoromethyl)indazol-5-yl]-2,3-dihydro-1H-indolizin-5-one
CID 156017360
2-Imidazolidinone,1-[2-[4-[3-(4-fluorophenyl)-2,5-dimethyl-1h-indol-1-yl]-1-piperidinyl]ethyl]-
CID 9845791
2-Imidazolidinone,1-[2-[4-[3-(4-fluorophenyl)-2,5-dimethyl-1h-indol-1-yl]-3,6-dihydro-1(2h)-pyridinyl]ethyl]-
CID 10048445
2-Imidazolidinone,1-[2-[4-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1h-indol-1-yl]-1-piperidinyl]ethyl]-
CID 10254306

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[3-(4-fluorophenyl)-5-(trifluoromethyl)indazol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-[3-(4-fluorophenyl)-5-(trifluoromethyl)indazol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one (CID 54240441) is 1-[2-[4-[3-(4-fluorophenyl)-5-(trifluoromethyl)indazol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-[3-(4-fluorophenyl)-5-(trifluoromethyl)indazol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-[3-(4-fluorophenyl)-5-(trifluoromethyl)indazol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one is O=C1NCCN1CCN1CCC(n2nc(-c3ccc(F)cc3)c3cc(C(F)(F)F)ccc32)CC1.
What is the InChIKey of 1-[2-[4-[3-(4-fluorophenyl)-5-(trifluoromethyl)indazol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is QPQAQOZRHNMECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F4N5O/c25-18-4-1-16(2-5-18)22-20-15-17(24(26,27)28)3-6-21(20)33(30-22)19-7-10-31(11-8-19)13-14-32-12-9-29-23(32)34/h1-6,15,19H,7-14H2,(H,29,34).
What are the key properties of 1-[2-[4-[3-(4-fluorophenyl)-5-(trifluoromethyl)indazol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
1-[2-[4-[3-(4-fluorophenyl)-5-(trifluoromethyl)indazol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 475.49 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[3-(4-fluorophenyl)-5-(trifluoromethyl)indazol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 54240441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).