1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one

C73H65ClF5N21O5S — CID 162009931

IUPAC1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one
SMILESCCn1cc(-c2ccc(F)c(N3CCN(c4ccc(F)c(Cl)c4)C3=O)c2)c(-c2ccnc(N)n2)n1.CCn1cc(-c2ccc(F)c(N3CCN(c4ccc(F)cc4)C3=O)c2)c(-c2ccnc(N)n2)n1.CCn1cc(-c2ccc(F)c(N3CCN(c4ccc(S(C)(=O)=O)cc4)C3=O)c2)c(-c2ccnc(N)n2)n1
InChIInChI=1S/C25H24FN7O3S.C24H20ClF2N7O.C24H21F2N7O/c1-3-31-15-19(23(30-31)21-10-11-28-24(27)29-21)16-4-9-20(26)22(14-16)33-13-12-32(25(33)34)17-5-7-18(8-6-17)37(2,35)36;1-2-32-13-16(22(31-32)20-7-8-29-23(28)30-20)14-3-5-19(27)21(11-14)34-10-9-33(24(34)35)15-4-6-18(26)17(25)12-15;1-2-31-14-18(22(30-31)20-9-10-28-23(27)29-20)15-3-8-19(26)21(13-15)33-12-11-32(24(33)34)17-6-4-16(25)5-7-17/h4-11,14-15H,3,12-13H2,1-2H3,(H2,27,28,29);3-8,11-13H,2,9-10H2,1H3,(H2,28,29,30);3-10,13-14H,2,11-12H2,1H3,(H2,27,28,29)
InChIKeyYTIKBHDKZGLAJU-UHFFFAOYSA-N
MW1478.97 g/mol
LogP12.92
Rot. Bonds16

About 1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one

1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one (PubChem CID 162009931) has the molecular formula C73H65ClF5N21O5S and a molecular weight of 1478.97 g/mol. Its IUPAC name is 1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one
PubChem CID162009931
Molecular FormulaC73H65ClF5N21O5S
Molecular Weight1478.97 g/mol
Exact Mass1477.48
IUPAC Name1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one
SMILESCCn1cc(-c2ccc(F)c(N3CCN(c4ccc(F)c(Cl)c4)C3=O)c2)c(-c2ccnc(N)n2)n1.CCn1cc(-c2ccc(F)c(N3CCN(c4ccc(F)cc4)C3=O)c2)c(-c2ccnc(N)n2)n1.CCn1cc(-c2ccc(F)c(N3CCN(c4ccc(S(C)(=O)=O)cc4)C3=O)c2)c(-c2ccnc(N)n2)n1
InChIInChI=1S/C25H24FN7O3S.C24H20ClF2N7O.C24H21F2N7O/c1-3-31-15-19(23(30-31)21-10-11-28-24(27)29-21)16-4-9-20(26)22(14-16)33-13-12-32(25(33)34)17-5-7-18(8-6-17)37(2,35)36;1-2-32-13-16(22(31-32)20-7-8-29-23(28)30-20)14-3-5-19(27)21(11-14)34-10-9-33(24(34)35)15-4-6-18(26)17(25)12-15;1-2-31-14-18(22(30-31)20-9-10-28-23(27)29-20)15-3-8-19(26)21(13-15)33-12-11-32(24(33)34)17-6-4-16(25)5-7-17/h4-11,14-15H,3,12-13H2,1-2H3,(H2,27,28,29);3-8,11-13H,2,9-10H2,1H3,(H2,28,29,30);3-10,13-14H,2,11-12H2,1H3,(H2,27,28,29)
InChIKeyYTIKBHDKZGLAJU-UHFFFAOYSA-N
XLogP12.92
TPSA313.65 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001478.97
LogP ≤ 512.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Analyze 1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one?
The IUPAC name of 1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one (CID 162009931) is 1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one.
What is the SMILES notation for 1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one?
The canonical SMILES for 1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one is CCn1cc(-c2ccc(F)c(N3CCN(c4ccc(F)c(Cl)c4)C3=O)c2)c(-c2ccnc(N)n2)n1.CCn1cc(-c2ccc(F)c(N3CCN(c4ccc(F)cc4)C3=O)c2)c(-c2ccnc(N)n2)n1.CCn1cc(-c2ccc(F)c(N3CCN(c4ccc(S(C)(=O)=O)cc4)C3=O)c2)c(-c2ccnc(N)n2)n1.
What is the InChIKey of 1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one?
The InChIKey is YTIKBHDKZGLAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7O3S.C24H20ClF2N7O.C24H21F2N7O/c1-3-31-15-19(23(30-31)21-10-11-28-24(27)29-21)16-4-9-20(26)22(14-16)33-13-12-32(25(33)34)17-5-7-18(8-6-17)37(2,35)36;1-2-32-13-16(22(31-32)20-7-8-29-23(28)30-20)14-3-5-19(27)21(11-14)34-10-9-33(24(34)35)15-4-6-18(26)17(25)12-15;1-2-31-14-18(22(30-31)20-9-10-28-23(27)29-20)15-3-8-19(26)21(13-15)33-12-11-32(24(33)34)17-6-4-16(25)5-7-17/h4-11,14-15H,3,12-13H2,1-2H3,(H2,27,28,29);3-8,11-13H,2,9-10H2,1H3,(H2,28,29,30);3-10,13-14H,2,11-12H2,1H3,(H2,27,28,29).
What are the key properties of 1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one?
1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one has a molecular weight of 1478.97 g/mol, XLogP of 12.92, 16 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one is sourced from PubChem (CID 162009931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).