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

C19H16F5N7O — CID 171836331

IUPAC1-[4-[2-[[1-(2,2,3,3,3-pentafluoropropyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]imidazolidin-2-one
SMILESO=C1NCCN1c1ccc(-c2ccnc(Nc3cnn(CC(F)(F)C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C19H16F5N7O/c20-18(21,19(22,23)24)11-30-10-13(9-27-30)28-16-25-6-5-15(29-16)12-1-3-14(4-2-12)31-8-7-26-17(31)32/h1-6,9-10H,7-8,11H2,(H,26,32)(H,25,28,29)
InChIKeySGALSDGIRNPZEV-UHFFFAOYSA-N
MW453.38 g/mol
LogP3.81
Rot. Bonds6

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

1-[4-[2-[[1-(2,2,3,3,3-pentafluoropropyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]imidazolidin-2-one (PubChem CID 171836331) has the molecular formula C19H16F5N7O and a molecular weight of 453.38 g/mol. Its IUPAC name is 1-[4-[2-[[1-(2,2,3,3,3-pentafluoropropyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-[[1-(2,2,3,3,3-pentafluoropropyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]imidazolidin-2-one
PubChem CID171836331
Molecular FormulaC19H16F5N7O
Molecular Weight453.38 g/mol
Exact Mass453.13
IUPAC Name1-[4-[2-[[1-(2,2,3,3,3-pentafluoropropyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]imidazolidin-2-one
SMILESO=C1NCCN1c1ccc(-c2ccnc(Nc3cnn(CC(F)(F)C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C19H16F5N7O/c20-18(21,19(22,23)24)11-30-10-13(9-27-30)28-16-25-6-5-15(29-16)12-1-3-14(4-2-12)31-8-7-26-17(31)32/h1-6,9-10H,7-8,11H2,(H,26,32)(H,25,28,29)
InChIKeySGALSDGIRNPZEV-UHFFFAOYSA-N
XLogP3.81
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.38
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-[4-[(1-propylpyrazol-4-yl)amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one
CID 171836295
1-[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]piperazin-2-one
CID 141101261
1-[4-[4-[[1-(difluoromethyl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one
CID 171836405
1-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]piperazin-1-yl]ethanone
CID 152574958
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-cyclopentylpyrazol-4-yl)amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one
CID 171836270
2-[4-[[2-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrimidin-4-yl]amino]pyrazol-1-yl]propanenitrile
CID 171836298
1-[4-[[4-[1-(oxan-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazolidin-2-one
CID 178013024
3-cyclopentyl-3-[4-[2-[4-(2-oxopyrrolidin-1-yl)anilino]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile
CID 58014402
1-[4-[4-[[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one
CID 171836241
N-[4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]prop-2-enamide
CID 162663326
1-[2-[(4-pyridin-3-ylpyrimidin-2-yl)amino]ethyl]imidazolidin-2-one
CID 72894729

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[[1-(2,2,3,3,3-pentafluoropropyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-[2-[[1-(2,2,3,3,3-pentafluoropropyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]imidazolidin-2-one (CID 171836331) is 1-[4-[2-[[1-(2,2,3,3,3-pentafluoropropyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-[2-[[1-(2,2,3,3,3-pentafluoropropyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-[2-[[1-(2,2,3,3,3-pentafluoropropyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]imidazolidin-2-one is O=C1NCCN1c1ccc(-c2ccnc(Nc3cnn(CC(F)(F)C(F)(F)F)c3)n2)cc1.
What is the InChIKey of 1-[4-[2-[[1-(2,2,3,3,3-pentafluoropropyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]imidazolidin-2-one?
The InChIKey is SGALSDGIRNPZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F5N7O/c20-18(21,19(22,23)24)11-30-10-13(9-27-30)28-16-25-6-5-15(29-16)12-1-3-14(4-2-12)31-8-7-26-17(31)32/h1-6,9-10H,7-8,11H2,(H,26,32)(H,25,28,29).
What are the key properties of 1-[4-[2-[[1-(2,2,3,3,3-pentafluoropropyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]imidazolidin-2-one?
1-[4-[2-[[1-(2,2,3,3,3-pentafluoropropyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]imidazolidin-2-one has a molecular weight of 453.38 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[[1-(2,2,3,3,3-pentafluoropropyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 171836331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).