4-[2-[4-(6-chloropyrimidin-4-yl)pyrazol-1-yl]ethyl]morpholine;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyphenyl]urea;4,6-dichloropyrimidine;4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyaniline

C63H65Cl4F3N20O6 — CID 159946108

IUPAC4-[2-[4-(6-chloropyrimidin-4-yl)pyrazol-1-yl]ethyl]morpholine;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyphenyl]urea;4,6-dichloropyrimidine;4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyaniline
SMILESClc1cc(-c2cnn(CCN3CCOCC3)c2)ncn1.Clc1cc(Cl)ncn1.Nc1ccc(Oc2cc(-c3cnn(CCN4CCOCC4)c3)ncn2)cc1.O=C(Nc1ccc(Oc2cc(-c3cnn(CCN4CCOCC4)c3)ncn2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C27H25ClF3N7O3.C19H22N6O2.C13H16ClN5O.C4H2Cl2N2/c28-23-6-3-20(13-22(23)27(29,30)31)36-26(39)35-19-1-4-21(5-2-19)41-25-14-24(32-17-33-25)18-15-34-38(16-18)8-7-37-9-11-40-12-10-37;20-16-1-3-17(4-2-16)27-19-11-18(21-14-22-19)15-12-23-25(13-15)6-5-24-7-9-26-10-8-24;14-13-7-12(15-10-16-13)11-8-17-19(9-11)2-1-18-3-5-20-6-4-18;5-3-1-4(6)8-2-7-3/h1-6,13-17H,7-12H2,(H2,35,36,39);1-4,11-14H,5-10,20H2;7-10H,1-6H2;1-2H
InChIKeyOBMVPSAIRIDNOO-UHFFFAOYSA-N
MW1397.15 g/mol
LogP10.94
Rot. Bonds18

About 4-[2-[4-(6-chloropyrimidin-4-yl)pyrazol-1-yl]ethyl]morpholine;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyphenyl]urea;4,6-dichloropyrimidine;4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyaniline

4-[2-[4-(6-chloropyrimidin-4-yl)pyrazol-1-yl]ethyl]morpholine;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyphenyl]urea;4,6-dichloropyrimidine;4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyaniline (PubChem CID 159946108) has the molecular formula C63H65Cl4F3N20O6 and a molecular weight of 1397.15 g/mol. Its IUPAC name is 4-[2-[4-(6-chloropyrimidin-4-yl)pyrazol-1-yl]ethyl]morpholine;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyphenyl]urea;4,6-dichloropyrimidine;4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyaniline.

Molecular Properties

Compound Name4-[2-[4-(6-chloropyrimidin-4-yl)pyrazol-1-yl]ethyl]morpholine;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyphenyl]urea;4,6-dichloropyrimidine;4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyaniline
PubChem CID159946108
Molecular FormulaC63H65Cl4F3N20O6
Molecular Weight1397.15 g/mol
Exact Mass1394.41
IUPAC Name4-[2-[4-(6-chloropyrimidin-4-yl)pyrazol-1-yl]ethyl]morpholine;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyphenyl]urea;4,6-dichloropyrimidine;4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyaniline
SMILESClc1cc(-c2cnn(CCN3CCOCC3)c2)ncn1.Clc1cc(Cl)ncn1.Nc1ccc(Oc2cc(-c3cnn(CCN4CCOCC4)c3)ncn2)cc1.O=C(Nc1ccc(Oc2cc(-c3cnn(CCN4CCOCC4)c3)ncn2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C27H25ClF3N7O3.C19H22N6O2.C13H16ClN5O.C4H2Cl2N2/c28-23-6-3-20(13-22(23)27(29,30)31)36-26(39)35-19-1-4-21(5-2-19)41-25-14-24(32-17-33-25)18-15-34-38(16-18)8-7-37-9-11-40-12-10-37;20-16-1-3-17(4-2-16)27-19-11-18(21-14-22-19)15-12-23-25(13-15)6-5-24-7-9-26-10-8-24;14-13-7-12(15-10-16-13)11-8-17-19(9-11)2-1-18-3-5-20-6-4-18;5-3-1-4(6)8-2-7-3/h1-6,13-17H,7-12H2,(H2,35,36,39);1-4,11-14H,5-10,20H2;7-10H,1-6H2;1-2H
InChIKeyOBMVPSAIRIDNOO-UHFFFAOYSA-N
XLogP10.94
TPSA279.60 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001397.15
LogP ≤ 510.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[2-[4-(6-chloropyrimidin-4-yl)pyrazol-1-yl]ethyl]morpholine;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyphenyl]urea;4,6-dichloropyrimidine;4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyaniline with MolForge

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Related Compounds

1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[3-fluoro-4-[[2-[4-(3-morpholin-4-ylpropyl)-1,2,4-triazol-3-yl]-4-pyridinyl]oxy]phenyl]urea
CID 127045721
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[3-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyphenyl]urea
CID 58917031
1-[3-[6-(1-Benzylpyrazol-4-yl)pyrimidin-4-yl]oxyphenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 58917083
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyphenyl]urea
CID 58917175
Methyl 2-[3-[6-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyrimidin-4-yl]pyrazol-1-yl]acetate
CID 58917209
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyphenyl]urea
CID 58917274
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[3-[6-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrimidin-4-yl]oxyphenyl]urea
CID 58917289
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[3-[6-[1-(2-hydroxyethyl)pyrazol-3-yl]pyrimidin-4-yl]oxyphenyl]urea
CID 58917294
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[4-fluoro-3-(3-pyrazol-1-ylquinoxalin-6-yl)oxyphenyl]urea;1-(3-fluorophenyl)-3-[4-fluoro-3-[3-(piperazin-1-ylmethyl)quinoxalin-6-yl]oxyphenyl]urea;1-(4-fluorophenyl)-3-[4-fluoro-3-[3-(piperazin-1-ylmethyl)quinoxalin-6-yl]oxyphenyl]urea
CID 89719555
tert-butyl 2-[6-(4-aminophenoxy)pyrimidin-4-yl]pyrrole-1-carboxylate;tert-butyl 2-(6-chloropyrimidin-4-yl)pyrrole-1-carboxylate;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-(1H-pyrrol-2-yl)pyrimidin-4-yl]oxyphenyl]urea;4-[6-(1H-pyrrol-2-yl)pyrimidin-4-yl]oxyaniline
CID 157100125
4-(2-Chloropyrimidin-4-yl)oxyaniline;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyphenyl]urea;2,4-dichloropyrimidine;4-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline
CID 157344788
4-Chloro-6-(1-methylpyrazol-4-yl)pyrimidine;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2,4-difluoro-5-[6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyphenyl]urea;2,4-difluoro-5-[6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline;methane
CID 157439427

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(6-chloropyrimidin-4-yl)pyrazol-1-yl]ethyl]morpholine;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyphenyl]urea;4,6-dichloropyrimidine;4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyaniline?
The IUPAC name of 4-[2-[4-(6-chloropyrimidin-4-yl)pyrazol-1-yl]ethyl]morpholine;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyphenyl]urea;4,6-dichloropyrimidine;4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyaniline (CID 159946108) is 4-[2-[4-(6-chloropyrimidin-4-yl)pyrazol-1-yl]ethyl]morpholine;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyphenyl]urea;4,6-dichloropyrimidine;4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyaniline.
What is the SMILES notation for 4-[2-[4-(6-chloropyrimidin-4-yl)pyrazol-1-yl]ethyl]morpholine;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyphenyl]urea;4,6-dichloropyrimidine;4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyaniline?
The canonical SMILES for 4-[2-[4-(6-chloropyrimidin-4-yl)pyrazol-1-yl]ethyl]morpholine;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyphenyl]urea;4,6-dichloropyrimidine;4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyaniline is Clc1cc(-c2cnn(CCN3CCOCC3)c2)ncn1.Clc1cc(Cl)ncn1.Nc1ccc(Oc2cc(-c3cnn(CCN4CCOCC4)c3)ncn2)cc1.O=C(Nc1ccc(Oc2cc(-c3cnn(CCN4CCOCC4)c3)ncn2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-[2-[4-(6-chloropyrimidin-4-yl)pyrazol-1-yl]ethyl]morpholine;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyphenyl]urea;4,6-dichloropyrimidine;4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyaniline?
The InChIKey is OBMVPSAIRIDNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClF3N7O3.C19H22N6O2.C13H16ClN5O.C4H2Cl2N2/c28-23-6-3-20(13-22(23)27(29,30)31)36-26(39)35-19-1-4-21(5-2-19)41-25-14-24(32-17-33-25)18-15-34-38(16-18)8-7-37-9-11-40-12-10-37;20-16-1-3-17(4-2-16)27-19-11-18(21-14-22-19)15-12-23-25(13-15)6-5-24-7-9-26-10-8-24;14-13-7-12(15-10-16-13)11-8-17-19(9-11)2-1-18-3-5-20-6-4-18;5-3-1-4(6)8-2-7-3/h1-6,13-17H,7-12H2,(H2,35,36,39);1-4,11-14H,5-10,20H2;7-10H,1-6H2;1-2H.
What are the key properties of 4-[2-[4-(6-chloropyrimidin-4-yl)pyrazol-1-yl]ethyl]morpholine;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyphenyl]urea;4,6-dichloropyrimidine;4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyaniline?
4-[2-[4-(6-chloropyrimidin-4-yl)pyrazol-1-yl]ethyl]morpholine;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyphenyl]urea;4,6-dichloropyrimidine;4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyaniline has a molecular weight of 1397.15 g/mol, XLogP of 10.94, 18 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(6-chloropyrimidin-4-yl)pyrazol-1-yl]ethyl]morpholine;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyphenyl]urea;4,6-dichloropyrimidine;4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyaniline is sourced from PubChem (CID 159946108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).