2-[4-[[2-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrimidin-4-yl]amino]pyrazol-1-yl]propanenitrile

C19H18N8O — CID 171836298

IUPAC2-[4-[[2-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrimidin-4-yl]amino]pyrazol-1-yl]propanenitrile
SMILESCC(C#N)n1cc(Nc2ccnc(-c3ccc(N4CCNC4=O)cc3)n2)cn1
InChIInChI=1S/C19H18N8O/c1-13(10-20)27-12-15(11-23-27)24-17-6-7-21-18(25-17)14-2-4-16(5-3-14)26-9-8-22-19(26)28/h2-7,11-13H,8-9H2,1H3,(H,22,28)(H,21,24,25)
InChIKeyNRALUNBKWVYDIX-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.70
Rot. Bonds5

About 2-[4-[[2-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrimidin-4-yl]amino]pyrazol-1-yl]propanenitrile

2-[4-[[2-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrimidin-4-yl]amino]pyrazol-1-yl]propanenitrile (PubChem CID 171836298) has the molecular formula C19H18N8O and a molecular weight of 374.41 g/mol. Its IUPAC name is 2-[4-[[2-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrimidin-4-yl]amino]pyrazol-1-yl]propanenitrile.

Molecular Properties

Compound Name2-[4-[[2-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrimidin-4-yl]amino]pyrazol-1-yl]propanenitrile
PubChem CID171836298
Molecular FormulaC19H18N8O
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name2-[4-[[2-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrimidin-4-yl]amino]pyrazol-1-yl]propanenitrile
SMILESCC(C#N)n1cc(Nc2ccnc(-c3ccc(N4CCNC4=O)cc3)n2)cn1
InChIInChI=1S/C19H18N8O/c1-13(10-20)27-12-15(11-23-27)24-17-6-7-21-18(25-17)14-2-4-16(5-3-14)26-9-8-22-19(26)28/h2-7,11-13H,8-9H2,1H3,(H,22,28)(H,21,24,25)
InChIKeyNRALUNBKWVYDIX-UHFFFAOYSA-N
XLogP2.70
TPSA111.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-(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
2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile
CID 135344550
methane;1-(4-methylphenyl)imidazolidin-2-one
CID 143511114
2-[4-[(2-phenylpyrimidin-4-yl)amino]pyrazol-1-yl]acetamide
CID 146124735
1-[4-[(2-methylpyrimidin-4-yl)methylamino]phenyl]imidazolidin-2-one
CID 62749296
3-chloro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-4-carbonitrile
CID 107057605
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrimidin-4-yl]amino]pyrazol-1-yl]propanenitrile?
The IUPAC name of 2-[4-[[2-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrimidin-4-yl]amino]pyrazol-1-yl]propanenitrile (CID 171836298) is 2-[4-[[2-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrimidin-4-yl]amino]pyrazol-1-yl]propanenitrile.
What is the SMILES notation for 2-[4-[[2-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrimidin-4-yl]amino]pyrazol-1-yl]propanenitrile?
The canonical SMILES for 2-[4-[[2-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrimidin-4-yl]amino]pyrazol-1-yl]propanenitrile is CC(C#N)n1cc(Nc2ccnc(-c3ccc(N4CCNC4=O)cc3)n2)cn1.
What is the InChIKey of 2-[4-[[2-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrimidin-4-yl]amino]pyrazol-1-yl]propanenitrile?
The InChIKey is NRALUNBKWVYDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O/c1-13(10-20)27-12-15(11-23-27)24-17-6-7-21-18(25-17)14-2-4-16(5-3-14)26-9-8-22-19(26)28/h2-7,11-13H,8-9H2,1H3,(H,22,28)(H,21,24,25).
What are the key properties of 2-[4-[[2-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrimidin-4-yl]amino]pyrazol-1-yl]propanenitrile?
2-[4-[[2-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrimidin-4-yl]amino]pyrazol-1-yl]propanenitrile has a molecular weight of 374.41 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrimidin-4-yl]amino]pyrazol-1-yl]propanenitrile is sourced from PubChem (CID 171836298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).