1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-chlorophenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one

C74H66ClF6N21O4 — CID 159662477

IUPAC1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-chlorophenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCCn1cc(-c2cccc(N3CCN(c4ccc(C(F)(F)F)cc4)C3=O)c2F)c(-c2ccnc(N)n2)n1.CCn1cc(-c2cccc(N3CCN(c4ccc(Cl)cc4)C3=O)c2F)c(-c2ccnc(N)n2)n1.CCn1cc(-c2cccc(N3CCN(c4ccc(OC)cc4)C3=O)c2F)c(-c2ccnc(N)n2)n1
InChIInChI=1S/C25H21F4N7O.C25H24FN7O2.C24H21ClFN7O/c1-2-34-14-18(22(33-34)19-10-11-31-23(30)32-19)17-4-3-5-20(21(17)26)36-13-12-35(24(36)37)16-8-6-15(7-9-16)25(27,28)29;1-3-31-15-19(23(30-31)20-11-12-28-24(27)29-20)18-5-4-6-21(22(18)26)33-14-13-32(25(33)34)16-7-9-17(35-2)10-8-16;1-2-31-14-18(22(30-31)19-10-11-28-23(27)29-19)17-4-3-5-20(21(17)26)33-13-12-32(24(33)34)16-8-6-15(25)7-9-16/h3-11,14H,2,12-13H2,1H3,(H2,30,31,32);4-12,15H,3,13-14H2,1-2H3,(H2,27,28,29);3-11,14H,2,12-13H2,1H3,(H2,27,28,29)
InChIKeyMSZKXEICTFNACJ-UHFFFAOYSA-N
MW1462.93 g/mol
LogP14.27
Rot. Bonds16

About 1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-chlorophenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one

1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-chlorophenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 159662477) has the molecular formula C74H66ClF6N21O4 and a molecular weight of 1462.93 g/mol. Its IUPAC name is 1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-chlorophenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-chlorophenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one
PubChem CID159662477
Molecular FormulaC74H66ClF6N21O4
Molecular Weight1462.93 g/mol
Exact Mass1461.52
IUPAC Name1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-chlorophenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCCn1cc(-c2cccc(N3CCN(c4ccc(C(F)(F)F)cc4)C3=O)c2F)c(-c2ccnc(N)n2)n1.CCn1cc(-c2cccc(N3CCN(c4ccc(Cl)cc4)C3=O)c2F)c(-c2ccnc(N)n2)n1.CCn1cc(-c2cccc(N3CCN(c4ccc(OC)cc4)C3=O)c2F)c(-c2ccnc(N)n2)n1
InChIInChI=1S/C25H21F4N7O.C25H24FN7O2.C24H21ClFN7O/c1-2-34-14-18(22(33-34)19-10-11-31-23(30)32-19)17-4-3-5-20(21(17)26)36-13-12-35(24(36)37)16-8-6-15(7-9-16)25(27,28)29;1-3-31-15-19(23(30-31)20-11-12-28-24(27)29-20)18-5-4-6-21(22(18)26)33-14-13-32(25(33)34)16-7-9-17(35-2)10-8-16;1-2-31-14-18(22(30-31)19-10-11-28-23(27)29-19)17-4-3-5-20(21(17)26)33-13-12-32(24(33)34)16-8-6-15(25)7-9-16/h3-11,14H,2,12-13H2,1H3,(H2,30,31,32);4-12,15H,3,13-14H2,1-2H3,(H2,27,28,29);3-11,14H,2,12-13H2,1H3,(H2,27,28,29)
InChIKeyMSZKXEICTFNACJ-UHFFFAOYSA-N
XLogP14.27
TPSA288.74 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001462.93
LogP ≤ 514.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-chlorophenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one with MolForge

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Related Compounds

N-(4-chlorophenyl)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;1-[6-[4-(difluoromethoxy)-3-fluoroanilino]pyrazin-2-yl]-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylimidazo[4,5-b]pyridin-6-amine;6-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methoxyphenyl)pyrazin-2-amine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyrazin-2-amine
CID 157131555
1-(4-chlorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]-3-(4-methoxyphenyl)urea;1-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]-3-(4-methylphenyl)urea;1-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 157248577
tetrakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-4,5-dimethyl-2H-imidazol-3-ium-2-ide);tris(iridium);1-(4-methoxybenzene-6-id-1-yl)-4,5-dimethyl-3-(4-methylphenyl)-2H-imidazol-3-ium-2-ide;1-(4-methoxybenzene-6-id-1-yl)-3-(4-methoxyphenyl)-4,5-dimethyl-2H-imidazol-3-ium-2-ide;2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 157382116
6-(5-chloro-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;6-(5-chloro-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(5-chloro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;6-(5-chloro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 157437117
1-[3-[4-(2-Aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]phenyl]-3-(4-chlorophenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]phenyl]-3-(4-methoxyphenyl)imidazolidin-2-one;1-[3-[4-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 157636901
4-Chloro-6-(1-methylpyrazol-4-yl)pyrimidine;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyphenyl]urea;2-fluoro-4-[6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline
CID 158190011
1-[(2S)-2-tert-butyl-3-(2-chlorophenyl)-2-(2,4-difluorophenyl)but-3-enyl]-1,2,4-triazole;1-[(2R)-2-(2,4-difluorophenyl)-3,3-dimethyl-2-[(1S)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]butyl]-1,2,4-triazole;2-[(2R,3S)-3-(2,4-difluorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-2-yl]-4-[4-(2,2,3,3-tetrafluorobutoxy)phenyl]-1,2,4-triazol-3-one
CID 158239278
6-(5-chloro-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(2-cyclopropyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine;6-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine
CID 158263987
4-Chloro-6-(1-methylpyrazol-4-yl)pyrimidine;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyphenyl]urea;4-[6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline
CID 158328705
6-(5-chloro-2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-chloro-2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 158341103
1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-chlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methoxyphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 158445648
4-(2-Chloropyrimidin-4-yl)oxy-2-fluoroaniline;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyphenyl]urea;2,4-dichloropyrimidine;2-fluoro-4-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline
CID 158760259

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-chlorophenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-chlorophenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 159662477) is 1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-chlorophenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-chlorophenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-chlorophenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one is CCn1cc(-c2cccc(N3CCN(c4ccc(C(F)(F)F)cc4)C3=O)c2F)c(-c2ccnc(N)n2)n1.CCn1cc(-c2cccc(N3CCN(c4ccc(Cl)cc4)C3=O)c2F)c(-c2ccnc(N)n2)n1.CCn1cc(-c2cccc(N3CCN(c4ccc(OC)cc4)C3=O)c2F)c(-c2ccnc(N)n2)n1.
What is the InChIKey of 1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-chlorophenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one?
The InChIKey is MSZKXEICTFNACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F4N7O.C25H24FN7O2.C24H21ClFN7O/c1-2-34-14-18(22(33-34)19-10-11-31-23(30)32-19)17-4-3-5-20(21(17)26)36-13-12-35(24(36)37)16-8-6-15(7-9-16)25(27,28)29;1-3-31-15-19(23(30-31)20-11-12-28-24(27)29-20)18-5-4-6-21(22(18)26)33-14-13-32(25(33)34)16-7-9-17(35-2)10-8-16;1-2-31-14-18(22(30-31)19-10-11-28-23(27)29-19)17-4-3-5-20(21(17)26)33-13-12-32(24(33)34)16-8-6-15(25)7-9-16/h3-11,14H,2,12-13H2,1H3,(H2,30,31,32);4-12,15H,3,13-14H2,1-2H3,(H2,27,28,29);3-11,14H,2,12-13H2,1H3,(H2,27,28,29).
What are the key properties of 1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-chlorophenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one?
1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-chlorophenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 1462.93 g/mol, XLogP of 14.27, 16 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-chlorophenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(4-methoxyphenyl)imidazolidin-2-one;1-[3-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 159662477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).