1-[4-[4-[[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one

C20H20F3N7O2 — CID 171836241

IUPAC1-[4-[4-[[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one
SMILESCOCCn1cc(Nc2ccnc(-c3ccc(N4CCNC4=O)cc3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C20H20F3N7O2/c1-32-11-10-29-12-15(17(28-29)20(21,22)23)26-16-6-7-24-18(27-16)13-2-4-14(5-3-13)30-9-8-25-19(30)31/h2-7,12H,8-11H2,1H3,(H,25,31)(H,24,26,27)
InChIKeyUWMRUTCDNPXBMJ-UHFFFAOYSA-N
MW447.42 g/mol
LogP3.28
Rot. Bonds7

About 1-[4-[4-[[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one

1-[4-[4-[[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one (PubChem CID 171836241) has the molecular formula C20H20F3N7O2 and a molecular weight of 447.42 g/mol. Its IUPAC name is 1-[4-[4-[[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[4-[[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one
PubChem CID171836241
Molecular FormulaC20H20F3N7O2
Molecular Weight447.42 g/mol
Exact Mass447.16
IUPAC Name1-[4-[4-[[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one
SMILESCOCCn1cc(Nc2ccnc(-c3ccc(N4CCNC4=O)cc3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C20H20F3N7O2/c1-32-11-10-29-12-15(17(28-29)20(21,22)23)26-16-6-7-24-18(27-16)13-2-4-14(5-3-13)30-9-8-25-19(30)31/h2-7,12H,8-11H2,1H3,(H,25,31)(H,24,26,27)
InChIKeyUWMRUTCDNPXBMJ-UHFFFAOYSA-N
XLogP3.28
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.42
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-[4-[[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one (CID 171836241) is 1-[4-[4-[[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-[4-[[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-[4-[[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one is COCCn1cc(Nc2ccnc(-c3ccc(N4CCNC4=O)cc3)n2)c(C(F)(F)F)n1.
What is the InChIKey of 1-[4-[4-[[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one?
The InChIKey is UWMRUTCDNPXBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N7O2/c1-32-11-10-29-12-15(17(28-29)20(21,22)23)26-16-6-7-24-18(27-16)13-2-4-14(5-3-13)30-9-8-25-19(30)31/h2-7,12H,8-11H2,1H3,(H,25,31)(H,24,26,27).
What are the key properties of 1-[4-[4-[[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one?
1-[4-[4-[[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one has a molecular weight of 447.42 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 171836241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).