1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one

C48H42Cl3FN14O2 — CID 158117956

IUPAC1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one
SMILESCCn1cc(-c2cccc(N3CCN(c4ccc(Cl)c(Cl)c4)C3=O)c2)c(-c2ccnc(N)n2)n1.CCn1cc(-c2cccc(N3CCN(c4ccc(F)cc4Cl)C3=O)c2)c(-c2ccnc(N)n2)n1
InChIInChI=1S/C24H21Cl2N7O.C24H21ClFN7O/c1-2-31-14-18(22(30-31)21-8-9-28-23(27)29-21)15-4-3-5-16(12-15)32-10-11-33(24(32)34)17-6-7-19(25)20(26)13-17;1-2-31-14-18(22(30-31)20-8-9-28-23(27)29-20)15-4-3-5-17(12-15)32-10-11-33(24(32)34)21-7-6-16(26)13-19(21)25/h2*3-9,12-14H,2,10-11H2,1H3,(H2,27,28,29)
InChIKeyFRGFARUNCSSABE-UHFFFAOYSA-N
MW972.32 g/mol
LogP10.21
Rot. Bonds10

About 1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one

1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one (PubChem CID 158117956) has the molecular formula C48H42Cl3FN14O2 and a molecular weight of 972.32 g/mol. Its IUPAC name is 1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one
PubChem CID158117956
Molecular FormulaC48H42Cl3FN14O2
Molecular Weight972.32 g/mol
Exact Mass970.27
IUPAC Name1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one
SMILESCCn1cc(-c2cccc(N3CCN(c4ccc(Cl)c(Cl)c4)C3=O)c2)c(-c2ccnc(N)n2)n1.CCn1cc(-c2cccc(N3CCN(c4ccc(F)cc4Cl)C3=O)c2)c(-c2ccnc(N)n2)n1
InChIInChI=1S/C24H21Cl2N7O.C24H21ClFN7O/c1-2-31-14-18(22(30-31)21-8-9-28-23(27)29-21)15-4-3-5-16(12-15)32-10-11-33(24(32)34)17-6-7-19(25)20(26)13-17;1-2-31-14-18(22(30-31)20-8-9-28-23(27)29-20)15-4-3-5-17(12-15)32-10-11-33(24(32)34)21-7-6-16(26)13-19(21)25/h2*3-9,12-14H,2,10-11H2,1H3,(H2,27,28,29)
InChIKeyFRGFARUNCSSABE-UHFFFAOYSA-N
XLogP10.21
TPSA186.34 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500972.32
LogP ≤ 510.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one?
The IUPAC name of 1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one (CID 158117956) is 1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one.
What is the SMILES notation for 1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one?
The canonical SMILES for 1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one is CCn1cc(-c2cccc(N3CCN(c4ccc(Cl)c(Cl)c4)C3=O)c2)c(-c2ccnc(N)n2)n1.CCn1cc(-c2cccc(N3CCN(c4ccc(F)cc4Cl)C3=O)c2)c(-c2ccnc(N)n2)n1.
What is the InChIKey of 1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one?
The InChIKey is FRGFARUNCSSABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N7O.C24H21ClFN7O/c1-2-31-14-18(22(30-31)21-8-9-28-23(27)29-21)15-4-3-5-16(12-15)32-10-11-33(24(32)34)17-6-7-19(25)20(26)13-17;1-2-31-14-18(22(30-31)20-8-9-28-23(27)29-20)15-4-3-5-17(12-15)32-10-11-33(24(32)34)21-7-6-16(26)13-19(21)25/h2*3-9,12-14H,2,10-11H2,1H3,(H2,27,28,29).
What are the key properties of 1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one?
1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one has a molecular weight of 972.32 g/mol, XLogP of 10.21, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one is sourced from PubChem (CID 158117956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).