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

C21H23N7O — CID 171836270

IUPAC1-[4-[4-[(1-cyclopentylpyrazol-4-yl)amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one
SMILESO=C1NCCN1c1ccc(-c2nccc(Nc3cnn(C4CCCC4)c3)n2)cc1
InChIInChI=1S/C21H23N7O/c29-21-23-11-12-27(21)17-7-5-15(6-8-17)20-22-10-9-19(26-20)25-16-13-24-28(14-16)18-3-1-2-4-18/h5-10,13-14,18H,1-4,11-12H2,(H,23,29)(H,22,25,26)
InChIKeyRKSVZBWIFIPQCT-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.73
Rot. Bonds5

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

1-[4-[4-[(1-cyclopentylpyrazol-4-yl)amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one (PubChem CID 171836270) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-[4-[4-[(1-cyclopentylpyrazol-4-yl)amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[4-[(1-cyclopentylpyrazol-4-yl)amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one
PubChem CID171836270
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name1-[4-[4-[(1-cyclopentylpyrazol-4-yl)amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one
SMILESO=C1NCCN1c1ccc(-c2nccc(Nc3cnn(C4CCCC4)c3)n2)cc1
InChIInChI=1S/C21H23N7O/c29-21-23-11-12-27(21)17-7-5-15(6-8-17)20-22-10-9-19(26-20)25-16-13-24-28(14-16)18-3-1-2-4-18/h5-10,13-14,18H,1-4,11-12H2,(H,23,29)(H,22,25,26)
InChIKeyRKSVZBWIFIPQCT-UHFFFAOYSA-N
XLogP3.73
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[4-[[1-(difluoromethyl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one
CID 171836405
1-[4-[4-[(1-propylpyrazol-4-yl)amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one
CID 171836295
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-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one
CID 171836241
1-[4-[[4-[1-(oxan-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]imidazolidin-2-one
CID 178013024
1-[4-[2-[[1-(2,2,3,3,3-pentafluoropropyl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]imidazolidin-2-one
CID 171836331
6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indole-2-carboxamide
CID 137379383
4-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine
CID 134421040
1-[4-(1-cyclopentylethylamino)phenyl]imidazolidin-2-one
CID 62631563
7-[[3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]azepan-2-one
CID 126945776
4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 53078208

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(1-cyclopentylpyrazol-4-yl)amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-[4-[(1-cyclopentylpyrazol-4-yl)amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one (CID 171836270) is 1-[4-[4-[(1-cyclopentylpyrazol-4-yl)amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-[4-[(1-cyclopentylpyrazol-4-yl)amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-[4-[(1-cyclopentylpyrazol-4-yl)amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one is O=C1NCCN1c1ccc(-c2nccc(Nc3cnn(C4CCCC4)c3)n2)cc1.
What is the InChIKey of 1-[4-[4-[(1-cyclopentylpyrazol-4-yl)amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one?
The InChIKey is RKSVZBWIFIPQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c29-21-23-11-12-27(21)17-7-5-15(6-8-17)20-22-10-9-19(26-20)25-16-13-24-28(14-16)18-3-1-2-4-18/h5-10,13-14,18H,1-4,11-12H2,(H,23,29)(H,22,25,26).
What are the key properties of 1-[4-[4-[(1-cyclopentylpyrazol-4-yl)amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one?
1-[4-[4-[(1-cyclopentylpyrazol-4-yl)amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one has a molecular weight of 389.46 g/mol, XLogP of 3.73, 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-cyclopentylpyrazol-4-yl)amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 171836270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).