1-[5-chloro-2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-cyclohexylimidazolidin-2-one

C24H25ClFN5O2 — CID 90426710

IUPAC1-[5-chloro-2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-cyclohexylimidazolidin-2-one
SMILESCn1cc(-c2cc(Oc3cc(F)c(N4CCN(C5CCCCC5)C4=O)cc3Cl)ccn2)cn1
InChIInChI=1S/C24H25ClFN5O2/c1-29-15-16(14-28-29)21-11-18(7-8-27-21)33-23-13-20(26)22(12-19(23)25)31-10-9-30(24(31)32)17-5-3-2-4-6-17/h7-8,11-15,17H,2-6,9-10H2,1H3
InChIKeyBEDGUINIZAZIOE-UHFFFAOYSA-N
MW469.95 g/mol
LogP5.64
Rot. Bonds5

About 1-[5-chloro-2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-cyclohexylimidazolidin-2-one

1-[5-chloro-2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-cyclohexylimidazolidin-2-one (PubChem CID 90426710) has the molecular formula C24H25ClFN5O2 and a molecular weight of 469.95 g/mol. Its IUPAC name is 1-[5-chloro-2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-cyclohexylimidazolidin-2-one.

Molecular Properties

Compound Name1-[5-chloro-2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-cyclohexylimidazolidin-2-one
PubChem CID90426710
Molecular FormulaC24H25ClFN5O2
Molecular Weight469.95 g/mol
Exact Mass469.17
IUPAC Name1-[5-chloro-2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-cyclohexylimidazolidin-2-one
SMILESCn1cc(-c2cc(Oc3cc(F)c(N4CCN(C5CCCCC5)C4=O)cc3Cl)ccn2)cn1
InChIInChI=1S/C24H25ClFN5O2/c1-29-15-16(14-28-29)21-11-18(7-8-27-21)33-23-13-20(26)22(12-19(23)25)31-10-9-30(24(31)32)17-5-3-2-4-6-17/h7-8,11-15,17H,2-6,9-10H2,1H3
InChIKeyBEDGUINIZAZIOE-UHFFFAOYSA-N
XLogP5.64
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.95
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-cyclohexylimidazolidin-2-one?
The IUPAC name of 1-[5-chloro-2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-cyclohexylimidazolidin-2-one (CID 90426710) is 1-[5-chloro-2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-cyclohexylimidazolidin-2-one.
What is the SMILES notation for 1-[5-chloro-2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-cyclohexylimidazolidin-2-one?
The canonical SMILES for 1-[5-chloro-2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-cyclohexylimidazolidin-2-one is Cn1cc(-c2cc(Oc3cc(F)c(N4CCN(C5CCCCC5)C4=O)cc3Cl)ccn2)cn1.
What is the InChIKey of 1-[5-chloro-2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-cyclohexylimidazolidin-2-one?
The InChIKey is BEDGUINIZAZIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN5O2/c1-29-15-16(14-28-29)21-11-18(7-8-27-21)33-23-13-20(26)22(12-19(23)25)31-10-9-30(24(31)32)17-5-3-2-4-6-17/h7-8,11-15,17H,2-6,9-10H2,1H3.
What are the key properties of 1-[5-chloro-2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-cyclohexylimidazolidin-2-one?
1-[5-chloro-2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-cyclohexylimidazolidin-2-one has a molecular weight of 469.95 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-cyclohexylimidazolidin-2-one is sourced from PubChem (CID 90426710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).