1-[4-[[4-[1-(oxan-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazolidin-2-one

C22H22F3N7O2 — CID 178013024

IUPAC1-[4-[[4-[1-(oxan-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazolidin-2-one
SMILESO=C1NCCN1c1ccc(Nc2ncc(C(F)(F)F)c(-c3cnn(C4CCOCC4)c3)n2)cc1
InChIInChI=1S/C22H22F3N7O2/c23-22(24,25)18-12-27-20(29-15-1-3-16(4-2-15)31-8-7-26-21(31)33)30-19(18)14-11-28-32(13-14)17-5-9-34-10-6-17/h1-4,11-13,17H,5-10H2,(H,26,33)(H,27,29,30)
InChIKeyHXJCHORDIAXRET-UHFFFAOYSA-N
MW473.46 g/mol
LogP3.98
Rot. Bonds5

About 1-[4-[[4-[1-(oxan-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazolidin-2-one

1-[4-[[4-[1-(oxan-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazolidin-2-one (PubChem CID 178013024) has the molecular formula C22H22F3N7O2 and a molecular weight of 473.46 g/mol. Its IUPAC name is 1-[4-[[4-[1-(oxan-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[[4-[1-(oxan-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazolidin-2-one
PubChem CID178013024
Molecular FormulaC22H22F3N7O2
Molecular Weight473.46 g/mol
Exact Mass473.18
IUPAC Name1-[4-[[4-[1-(oxan-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazolidin-2-one
SMILESO=C1NCCN1c1ccc(Nc2ncc(C(F)(F)F)c(-c3cnn(C4CCOCC4)c3)n2)cc1
InChIInChI=1S/C22H22F3N7O2/c23-22(24,25)18-12-27-20(29-15-1-3-16(4-2-15)31-8-7-26-21(31)33)30-19(18)14-11-28-32(13-14)17-5-9-34-10-6-17/h1-4,11-13,17H,5-10H2,(H,26,33)(H,27,29,30)
InChIKeyHXJCHORDIAXRET-UHFFFAOYSA-N
XLogP3.98
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.46
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-hydroxy-1-[4-[[4-[1-(oxan-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-2-one
CID 178013110
3-fluoro-4-[[4-[1-(oxetan-3-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 166535094
1-[4-[4-[(1-cyclopentylpyrazol-4-yl)amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one
CID 171836270
(3S)-1-[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 165402838
5-ethyl-4-(2-fluoro-4-pyridinyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 155203641
4-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-N-[4-(3-morpholin-4-ylazetidin-1-yl)phenyl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 165402850
ethane;2-methyl-4-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine
CID 170639587
5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 117078807
1-[4-[2-[[1-(2,2,3,3,3-pentafluoropropyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]imidazolidin-2-one
CID 171836331
3-chloro-4-[4-[2-[4-(3-oxomorpholin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]imidazol-1-yl]benzonitrile
CID 178013097
N-methyl-2-[[2-[4-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzamide
CID 172624760
5-chloro-N-(2-methoxyphenyl)-4-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 174053483

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[1-(oxan-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-[[4-[1-(oxan-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazolidin-2-one (CID 178013024) is 1-[4-[[4-[1-(oxan-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-[[4-[1-(oxan-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-[[4-[1-(oxan-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazolidin-2-one is O=C1NCCN1c1ccc(Nc2ncc(C(F)(F)F)c(-c3cnn(C4CCOCC4)c3)n2)cc1.
What is the InChIKey of 1-[4-[[4-[1-(oxan-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazolidin-2-one?
The InChIKey is HXJCHORDIAXRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N7O2/c23-22(24,25)18-12-27-20(29-15-1-3-16(4-2-15)31-8-7-26-21(31)33)30-19(18)14-11-28-32(13-14)17-5-9-34-10-6-17/h1-4,11-13,17H,5-10H2,(H,26,33)(H,27,29,30).
What are the key properties of 1-[4-[[4-[1-(oxan-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazolidin-2-one?
1-[4-[[4-[1-(oxan-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazolidin-2-one has a molecular weight of 473.46 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[1-(oxan-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazolidin-2-one is sourced from PubChem (CID 178013024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).