1-(5-ethyl-2-fluorophenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea

C85H65F13N20O4 — CID 161089671

IUPAC1-(5-ethyl-2-fluorophenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea
SMILESCCc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4c3cnn4C)cc2)c1.Cn1ncc2c(-c3ccc(NC(=O)Nc4cc(F)cc(C(F)(F)F)c4)cc3)cncc21.Cn1ncc2c(-c3ccc(NC(=O)Nc4ccc(F)c(C(F)(F)F)c4)cc3)cncc21.Cn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4F)cc3)cncc21
InChIInChI=1S/C22H20FN5O.3C21H15F4N5O/c1-3-14-4-9-19(23)20(10-14)27-22(29)26-16-7-5-15(6-8-16)17-11-24-13-21-18(17)12-25-28(21)2;1-30-19-11-26-9-17(18(19)10-27-30)12-2-4-15(5-3-12)28-20(31)29-16-7-13(21(23,24)25)6-14(22)8-16;1-30-19-11-26-9-15(16(19)10-27-30)12-2-4-13(5-3-12)28-20(31)29-14-6-7-18(22)17(8-14)21(23,24)25;1-30-18-11-26-9-14(15(18)10-27-30)12-5-7-13(8-6-12)28-20(31)29-17-4-2-3-16(19(17)22)21(23,24)25/h4-13H,3H2,1-2H3,(H2,26,27,29);3*2-11H,1H3,(H2,28,29,31)
InChIKeyUGZUGUQLHDIWEG-UHFFFAOYSA-N
MW1677.56 g/mol
LogP21.29
Rot. Bonds13

About 1-(5-ethyl-2-fluorophenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea

1-(5-ethyl-2-fluorophenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea (PubChem CID 161089671) has the molecular formula C85H65F13N20O4 and a molecular weight of 1677.56 g/mol. Its IUPAC name is 1-(5-ethyl-2-fluorophenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(5-ethyl-2-fluorophenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea
PubChem CID161089671
Molecular FormulaC85H65F13N20O4
Molecular Weight1677.56 g/mol
Exact Mass1676.53
IUPAC Name1-(5-ethyl-2-fluorophenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea
SMILESCCc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4c3cnn4C)cc2)c1.Cn1ncc2c(-c3ccc(NC(=O)Nc4cc(F)cc(C(F)(F)F)c4)cc3)cncc21.Cn1ncc2c(-c3ccc(NC(=O)Nc4ccc(F)c(C(F)(F)F)c4)cc3)cncc21.Cn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4F)cc3)cncc21
InChIInChI=1S/C22H20FN5O.3C21H15F4N5O/c1-3-14-4-9-19(23)20(10-14)27-22(29)26-16-7-5-15(6-8-16)17-11-24-13-21-18(17)12-25-28(21)2;1-30-19-11-26-9-17(18(19)10-27-30)12-2-4-15(5-3-12)28-20(31)29-16-7-13(21(23,24)25)6-14(22)8-16;1-30-19-11-26-9-15(16(19)10-27-30)12-2-4-13(5-3-12)28-20(31)29-14-6-7-18(22)17(8-14)21(23,24)25;1-30-18-11-26-9-14(15(18)10-27-30)12-5-7-13(8-6-12)28-20(31)29-17-4-2-3-16(19(17)22)21(23,24)25/h4-13H,3H2,1-2H3,(H2,26,27,29);3*2-11H,1H3,(H2,28,29,31)
InChIKeyUGZUGUQLHDIWEG-UHFFFAOYSA-N
XLogP21.29
TPSA287.36 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001677.56
LogP ≤ 521.29
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze 1-(5-ethyl-2-fluorophenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cu[1-(3-[1,10]phenanthrolin-2-yl-phenyl)-3-(4-trifluoromethyl-phenyl)-urea]2Cl
CID 139138462
1-(2-Fluoro-5-trifluoromethyl-phenyl)-3-[4-(1-methyl-1H-pyrazolo[3,4-c]pyridin-4-yl)-phenyl]-urea
CID 24988315
1-(2-Fluoro-5-methyl-phenyl)-3-[4-(1-methyl-1H-pyrazolo[3,4-c]pyridin-4-yl)-phenyl]-urea
CID 24988316
1-[4-(1-Methyl-1H-pyrazolo[3,4-c]pyridin-4-yl)-phenyl]-3-(3-trifluoromethyl-phenyl)-urea
CID 24988683
1-[2-Fluoro-4-(1-methyl-1H-pyrazolo[3,4-c]pyridin-4-yl)-phenyl]-3-(3-trifluoromethyl-phenyl)-urea
CID 24988687
1-(2-Fluoro-5-trifluoromethyl-phenyl)-3-[2-methyl-4-(1-methyl-1H-pyrazolo[3,4-c]pyridin-4-yl)-phenyl]-urea
CID 24989047
1-Methyl-1-[4-(1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 24989051
1-[2-Fluoro-4-(1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 24989052
1-Methyl-3-[4-(1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]urea
CID 24989411
1-[4-[(4-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]urea
CID 24989413
1-[4-(1-Methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 24989798
1-[4-(1-Methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]urea
CID 24990181

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-fluorophenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea?
The IUPAC name of 1-(5-ethyl-2-fluorophenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea (CID 161089671) is 1-(5-ethyl-2-fluorophenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea.
What is the SMILES notation for 1-(5-ethyl-2-fluorophenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea?
The canonical SMILES for 1-(5-ethyl-2-fluorophenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea is CCc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4c3cnn4C)cc2)c1.Cn1ncc2c(-c3ccc(NC(=O)Nc4cc(F)cc(C(F)(F)F)c4)cc3)cncc21.Cn1ncc2c(-c3ccc(NC(=O)Nc4ccc(F)c(C(F)(F)F)c4)cc3)cncc21.Cn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4F)cc3)cncc21.
What is the InChIKey of 1-(5-ethyl-2-fluorophenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea?
The InChIKey is UGZUGUQLHDIWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O.3C21H15F4N5O/c1-3-14-4-9-19(23)20(10-14)27-22(29)26-16-7-5-15(6-8-16)17-11-24-13-21-18(17)12-25-28(21)2;1-30-19-11-26-9-17(18(19)10-27-30)12-2-4-15(5-3-12)28-20(31)29-16-7-13(21(23,24)25)6-14(22)8-16;1-30-19-11-26-9-15(16(19)10-27-30)12-2-4-13(5-3-12)28-20(31)29-14-6-7-18(22)17(8-14)21(23,24)25;1-30-18-11-26-9-14(15(18)10-27-30)12-5-7-13(8-6-12)28-20(31)29-17-4-2-3-16(19(17)22)21(23,24)25/h4-13H,3H2,1-2H3,(H2,26,27,29);3*2-11H,1H3,(H2,28,29,31).
What are the key properties of 1-(5-ethyl-2-fluorophenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea?
1-(5-ethyl-2-fluorophenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea has a molecular weight of 1677.56 g/mol, XLogP of 21.29, 13 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-fluorophenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea is sourced from PubChem (CID 161089671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).