1-[4-[5-[2-(dimethylamino)ethoxy]-1-methylpyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-[3-(dimethylamino)propyl]pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea

C77H77F9N18O5 — CID 157265100

IUPAC1-[4-[5-[2-(dimethylamino)ethoxy]-1-methylpyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-[3-(dimethylamino)propyl]pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCN(C)CCCn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cncc21.CN(C)CCOc1ncc2c(cnn2C)c1-c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1.O=C(Nc1ccc(-c2cncc3c2cnn3CCCN2CCOCC2)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H27F3N6O2.C25H25F3N6O2.C25H25F3N6O/c28-27(29,30)20-3-1-4-22(15-20)34-26(37)33-21-7-5-19(6-8-21)23-16-31-18-25-24(23)17-32-36(25)10-2-9-35-11-13-38-14-12-35;1-33(2)11-12-36-23-22(20-14-30-34(3)21(20)15-29-23)16-7-9-18(10-8-16)31-24(35)32-19-6-4-5-17(13-19)25(26,27)28;1-33(2)11-4-12-34-23-16-29-14-21(22(23)15-30-34)17-7-9-19(10-8-17)31-24(35)32-20-6-3-5-18(13-20)25(26,27)28/h1,3-8,15-18H,2,9-14H2,(H2,33,34,37);4-10,13-15H,11-12H2,1-3H3,(H2,31,32,35);3,5-10,13-16H,4,11-12H2,1-2H3,(H2,31,32,35)
InChIKeyAXXDVPJNNPBIHS-UHFFFAOYSA-N
MW1505.57 g/mol
LogP16.43
Rot. Bonds21

About 1-[4-[5-[2-(dimethylamino)ethoxy]-1-methylpyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-[3-(dimethylamino)propyl]pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea

1-[4-[5-[2-(dimethylamino)ethoxy]-1-methylpyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-[3-(dimethylamino)propyl]pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 157265100) has the molecular formula C77H77F9N18O5 and a molecular weight of 1505.57 g/mol. Its IUPAC name is 1-[4-[5-[2-(dimethylamino)ethoxy]-1-methylpyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-[3-(dimethylamino)propyl]pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-[5-[2-(dimethylamino)ethoxy]-1-methylpyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-[3-(dimethylamino)propyl]pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID157265100
Molecular FormulaC77H77F9N18O5
Molecular Weight1505.57 g/mol
Exact Mass1504.62
IUPAC Name1-[4-[5-[2-(dimethylamino)ethoxy]-1-methylpyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-[3-(dimethylamino)propyl]pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCN(C)CCCn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cncc21.CN(C)CCOc1ncc2c(cnn2C)c1-c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1.O=C(Nc1ccc(-c2cncc3c2cnn3CCCN2CCOCC2)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H27F3N6O2.C25H25F3N6O2.C25H25F3N6O/c28-27(29,30)20-3-1-4-22(15-20)34-26(37)33-21-7-5-19(6-8-21)23-16-31-18-25-24(23)17-32-36(25)10-2-9-35-11-13-38-14-12-35;1-33(2)11-12-36-23-22(20-14-30-34(3)21(20)15-29-23)16-7-9-18(10-8-16)31-24(35)32-19-6-4-5-17(13-19)25(26,27)28;1-33(2)11-4-12-34-23-16-29-14-21(22(23)15-30-34)17-7-9-19(10-8-17)31-24(35)32-20-6-3-5-18(13-20)25(26,27)28/h1,3-8,15-18H,2,9-14H2,(H2,33,34,37);4-10,13-15H,11-12H2,1-3H3,(H2,31,32,35);3,5-10,13-16H,4,11-12H2,1-2H3,(H2,31,32,35)
InChIKeyAXXDVPJNNPBIHS-UHFFFAOYSA-N
XLogP16.43
TPSA243.70 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds21
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001505.57
LogP ≤ 516.43
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Analyze 1-[4-[5-[2-(dimethylamino)ethoxy]-1-methylpyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-[3-(dimethylamino)propyl]pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)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

1-Phenyl-3-[3-[3-pyridin-4-yl-7-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-2-yl]phenyl]urea
CID 44528955
[1-Methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[3,4-c]pyridin-5-yl] acetate
CID 57606786
[1-Methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[3,4-c]pyridin-7-yl] acetate
CID 57606834
1-[4-[5-[2-(Dimethylamino)ethoxy]-1-methylpyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 57606885
1-[4-(1-Methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]urea
CID 57606888
1-[4-(1-Methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-[4-piperidin-4-yloxy-3-(trifluoromethyl)phenyl]urea
CID 57606895
1-[4-(1-Methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]urea
CID 57606946
1-[2-Fluoro-4-[[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-pyridinyl]oxy]phenyl]-3-[5-(trifluoromethyl)-3-pyridinyl]urea;1-[2-fluoro-4-[[2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-4-pyridinyl]oxy]phenyl]-3-[5-(trifluoromethyl)-3-pyridinyl]urea
CID 87164297
1-[2,3-difluoro-4-[[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-pyridinyl]oxy]phenyl]-1-[2,3-difluoro-4-[[2-[1-(2-methoxyethyl)pyrazol-4-yl]-4-pyridinyl]oxy]-N-[(5-propan-2-yl-3-pyridinyl)carbamoyl]anilino]-3-(5-propan-2-yl-3-pyridinyl)urea
CID 87361906
4-[5-(4-methylpiperidin-1-yl)-1-[[(2S)-morpholin-2-yl]methyl]pyrazolo[4,5-b]pyridin-6-yl]benzonitrile;4-[1-[[(3S)-pyrrolidin-3-yl]methyl]-5-(2,2,2-trifluoroethoxy)pyrazolo[4,5-b]pyridin-6-yl]benzonitrile
CID 122621367
Ethane;1-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-piperidin-4-yloxy-3-(trifluoromethyl)phenyl]urea
CID 143691263
Ethane;1-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]urea
CID 143691265

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[2-(dimethylamino)ethoxy]-1-methylpyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-[3-(dimethylamino)propyl]pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[4-[5-[2-(dimethylamino)ethoxy]-1-methylpyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-[3-(dimethylamino)propyl]pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 157265100) is 1-[4-[5-[2-(dimethylamino)ethoxy]-1-methylpyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-[3-(dimethylamino)propyl]pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[4-[5-[2-(dimethylamino)ethoxy]-1-methylpyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-[3-(dimethylamino)propyl]pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[4-[5-[2-(dimethylamino)ethoxy]-1-methylpyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-[3-(dimethylamino)propyl]pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea is CN(C)CCCn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cncc21.CN(C)CCOc1ncc2c(cnn2C)c1-c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1.O=C(Nc1ccc(-c2cncc3c2cnn3CCCN2CCOCC2)cc1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[4-[5-[2-(dimethylamino)ethoxy]-1-methylpyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-[3-(dimethylamino)propyl]pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is AXXDVPJNNPBIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N6O2.C25H25F3N6O2.C25H25F3N6O/c28-27(29,30)20-3-1-4-22(15-20)34-26(37)33-21-7-5-19(6-8-21)23-16-31-18-25-24(23)17-32-36(25)10-2-9-35-11-13-38-14-12-35;1-33(2)11-12-36-23-22(20-14-30-34(3)21(20)15-29-23)16-7-9-18(10-8-16)31-24(35)32-19-6-4-5-17(13-19)25(26,27)28;1-33(2)11-4-12-34-23-16-29-14-21(22(23)15-30-34)17-7-9-19(10-8-17)31-24(35)32-20-6-3-5-18(13-20)25(26,27)28/h1,3-8,15-18H,2,9-14H2,(H2,33,34,37);4-10,13-15H,11-12H2,1-3H3,(H2,31,32,35);3,5-10,13-16H,4,11-12H2,1-2H3,(H2,31,32,35).
What are the key properties of 1-[4-[5-[2-(dimethylamino)ethoxy]-1-methylpyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-[3-(dimethylamino)propyl]pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[4-[5-[2-(dimethylamino)ethoxy]-1-methylpyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-[3-(dimethylamino)propyl]pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 1505.57 g/mol, XLogP of 16.43, 21 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[2-(dimethylamino)ethoxy]-1-methylpyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-[3-(dimethylamino)propyl]pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 157265100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).