1-[4-[4-[[1-(difluoromethyl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one

C17H15F2N7O — CID 171836405

IUPAC1-[4-[4-[[1-(difluoromethyl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one
SMILESO=C1NCCN1c1ccc(-c2nccc(Nc3cnn(C(F)F)c3)n2)cc1
InChIInChI=1S/C17H15F2N7O/c18-16(19)26-10-12(9-22-26)23-14-5-6-20-15(24-14)11-1-3-13(4-2-11)25-8-7-21-17(25)27/h1-6,9-10,16H,7-8H2,(H,21,27)(H,20,23,24)
InChIKeyUADDPFBDEBTILJ-UHFFFAOYSA-N
MW371.35 g/mol
LogP3.01
Rot. Bonds5

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

1-[4-[4-[[1-(difluoromethyl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one (PubChem CID 171836405) has the molecular formula C17H15F2N7O and a molecular weight of 371.35 g/mol. Its IUPAC name is 1-[4-[4-[[1-(difluoromethyl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[4-[[1-(difluoromethyl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one
PubChem CID171836405
Molecular FormulaC17H15F2N7O
Molecular Weight371.35 g/mol
Exact Mass371.13
IUPAC Name1-[4-[4-[[1-(difluoromethyl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one
SMILESO=C1NCCN1c1ccc(-c2nccc(Nc3cnn(C(F)F)c3)n2)cc1
InChIInChI=1S/C17H15F2N7O/c18-16(19)26-10-12(9-22-26)23-14-5-6-20-15(24-14)11-1-3-13(4-2-11)25-8-7-21-17(25)27/h1-6,9-10,16H,7-8H2,(H,21,27)(H,20,23,24)
InChIKeyUADDPFBDEBTILJ-UHFFFAOYSA-N
XLogP3.01
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[2-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrimidin-4-yl]amino]pyrazol-1-yl]propanenitrile
CID 171836298
1-[4-[4-[[1-(1-hydroxypropan-2-yl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one
CID 171836315
1-[4-[4-[(1-propylpyrazol-4-yl)amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one
CID 171836295
1-[4-[4-[(1-cyclopentylpyrazol-4-yl)amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one
CID 171836270
1-[4-[4-[[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one
CID 171836241
1-[4-[2-[[1-(2,2,3,3,3-pentafluoropropyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]imidazolidin-2-one
CID 171836331
5-[4-[[1-(difluoromethyl)pyrazol-4-yl]amino]pyrimidin-2-yl]-2-[(3R,4S)-3-fluoro-1-(3-hydroxypropanoyl)piperidin-4-yl]oxybenzonitrile
CID 121262302
2-[4-[(2-phenylpyrimidin-4-yl)amino]pyrazol-1-yl]acetamide
CID 146124735
methane;1-(4-methylphenyl)imidazolidin-2-one
CID 143511114
3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 46331171
4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide
CID 53078149
1-[4-[(2-methylpyrimidin-4-yl)methylamino]phenyl]imidazolidin-2-one
CID 62749296

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[[1-(difluoromethyl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-[4-[[1-(difluoromethyl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one (CID 171836405) is 1-[4-[4-[[1-(difluoromethyl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-[4-[[1-(difluoromethyl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-[4-[[1-(difluoromethyl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one is O=C1NCCN1c1ccc(-c2nccc(Nc3cnn(C(F)F)c3)n2)cc1.
What is the InChIKey of 1-[4-[4-[[1-(difluoromethyl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one?
The InChIKey is UADDPFBDEBTILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N7O/c18-16(19)26-10-12(9-22-26)23-14-5-6-20-15(24-14)11-1-3-13(4-2-11)25-8-7-21-17(25)27/h1-6,9-10,16H,7-8H2,(H,21,27)(H,20,23,24).
What are the key properties of 1-[4-[4-[[1-(difluoromethyl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one?
1-[4-[4-[[1-(difluoromethyl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one has a molecular weight of 371.35 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[[1-(difluoromethyl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 171836405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).