1-methyl-3-[1-[1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one

C15H16F3N7O — CID 126946105

IUPAC1-methyl-3-[1-[1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
SMILESCN1CCN(c2cnn(C3CN(c4cc(C(F)(F)F)ncn4)C3)c2)C1=O
InChIInChI=1S/C15H16F3N7O/c1-22-2-3-24(14(22)26)10-5-21-25(8-10)11-6-23(7-11)13-4-12(15(16,17)18)19-9-20-13/h4-5,8-9,11H,2-3,6-7H2,1H3
InChIKeyKPHXMIIPLSBRFW-UHFFFAOYSA-N
MW367.34 g/mol
LogP1.62
Rot. Bonds3

About 1-methyl-3-[1-[1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one

1-methyl-3-[1-[1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one (PubChem CID 126946105) has the molecular formula C15H16F3N7O and a molecular weight of 367.34 g/mol. Its IUPAC name is 1-methyl-3-[1-[1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[1-[1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
PubChem CID126946105
Molecular FormulaC15H16F3N7O
Molecular Weight367.34 g/mol
Exact Mass367.14
IUPAC Name1-methyl-3-[1-[1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
SMILESCN1CCN(c2cnn(C3CN(c4cc(C(F)(F)F)ncn4)C3)c2)C1=O
InChIInChI=1S/C15H16F3N7O/c1-22-2-3-24(14(22)26)10-5-21-25(8-10)11-6-23(7-11)13-4-12(15(16,17)18)19-9-20-13/h4-5,8-9,11H,2-3,6-7H2,1H3
InChIKeyKPHXMIIPLSBRFW-UHFFFAOYSA-N
XLogP1.62
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-3-[1-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946046
1-methyl-3-[1-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946288
1-methyl-3-[1-[1-(5-methylpyrazin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126948796
1-[1-(1-cyclohexylazetidin-3-yl)pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126946060
1-[1-[1-(6-cyclopropylpyridazin-3-yl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126948670
1-methyl-3-[1-[1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126948789
1-methyl-3-[1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946062
1-[1-[1-(cyclopentylmethyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126946275
1-methyl-3-[1-[1-[(5-methylpyrazin-2-yl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946140
1-[1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126948793
1-[1-[1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948295
1-methyl-3-[1-[1-[(2-methylpyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946149

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-[1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
The IUPAC name of 1-methyl-3-[1-[1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one (CID 126946105) is 1-methyl-3-[1-[1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-methyl-3-[1-[1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-methyl-3-[1-[1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one is CN1CCN(c2cnn(C3CN(c4cc(C(F)(F)F)ncn4)C3)c2)C1=O.
What is the InChIKey of 1-methyl-3-[1-[1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
The InChIKey is KPHXMIIPLSBRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N7O/c1-22-2-3-24(14(22)26)10-5-21-25(8-10)11-6-23(7-11)13-4-12(15(16,17)18)19-9-20-13/h4-5,8-9,11H,2-3,6-7H2,1H3.
What are the key properties of 1-methyl-3-[1-[1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
1-methyl-3-[1-[1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one has a molecular weight of 367.34 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-[1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one is sourced from PubChem (CID 126946105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).