1-[4-[3-amino-6-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;3-[3-amino-6-cyclopropyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylpropanamide;3-[3-amino-6-cyclopropyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-1-yl]propanamide

C85H87F9N22O5 — CID 159179565

IUPAC1-[4-[3-amino-6-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;3-[3-amino-6-cyclopropyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylpropanamide;3-[3-amino-6-cyclopropyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-1-yl]propanamide
SMILESCN(C)C(=O)CCn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cc(C3CC3)nc21.CN1CCN(CCCn2nc(N)c3c(-c4ccc(NC(=O)Nc5cccc(C(F)(F)F)c5)cc4)cc(C4CC4)nc32)CC1.NC(=O)CCn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cc(C3CC3)nc21
InChIInChI=1S/C31H35F3N8O.C28H28F3N7O2.C26H24F3N7O2/c1-40-14-16-41(17-15-40)12-3-13-42-29-27(28(35)39-42)25(19-26(38-29)21-6-7-21)20-8-10-23(11-9-20)36-30(43)37-24-5-2-4-22(18-24)31(32,33)34;1-37(2)23(39)12-13-38-26-24(25(32)36-38)21(15-22(35-26)17-6-7-17)16-8-10-19(11-9-16)33-27(40)34-20-5-3-4-18(14-20)28(29,30)31;27-26(28,29)16-2-1-3-18(12-16)33-25(38)32-17-8-6-14(7-9-17)19-13-20(15-4-5-15)34-24-22(19)23(31)35-36(24)11-10-21(30)37/h2,4-5,8-11,18-19,21H,3,6-7,12-17H2,1H3,(H2,35,39)(H2,36,37,43);3-5,8-11,14-15,17H,6-7,12-13H2,1-2H3,(H2,32,36)(H2,33,34,40);1-3,6-9,12-13,15H,4-5,10-11H2,(H2,30,37)(H2,31,35)(H2,32,33,38)
InChIKeyKMSCWKAZNQJLJP-UHFFFAOYSA-N
MW1667.76 g/mol
LogP16.65
Rot. Bonds22

About 1-[4-[3-amino-6-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;3-[3-amino-6-cyclopropyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylpropanamide;3-[3-amino-6-cyclopropyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-1-yl]propanamide

1-[4-[3-amino-6-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;3-[3-amino-6-cyclopropyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylpropanamide;3-[3-amino-6-cyclopropyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-1-yl]propanamide (PubChem CID 159179565) has the molecular formula C85H87F9N22O5 and a molecular weight of 1667.76 g/mol. Its IUPAC name is 1-[4-[3-amino-6-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;3-[3-amino-6-cyclopropyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylpropanamide;3-[3-amino-6-cyclopropyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-1-yl]propanamide.

Molecular Properties

Compound Name1-[4-[3-amino-6-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;3-[3-amino-6-cyclopropyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylpropanamide;3-[3-amino-6-cyclopropyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-1-yl]propanamide
PubChem CID159179565
Molecular FormulaC85H87F9N22O5
Molecular Weight1667.76 g/mol
Exact Mass1666.71
IUPAC Name1-[4-[3-amino-6-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;3-[3-amino-6-cyclopropyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylpropanamide;3-[3-amino-6-cyclopropyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-1-yl]propanamide
SMILESCN(C)C(=O)CCn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cc(C3CC3)nc21.CN1CCN(CCCn2nc(N)c3c(-c4ccc(NC(=O)Nc5cccc(C(F)(F)F)c5)cc4)cc(C4CC4)nc32)CC1.NC(=O)CCn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cc(C3CC3)nc21
InChIInChI=1S/C31H35F3N8O.C28H28F3N7O2.C26H24F3N7O2/c1-40-14-16-41(17-15-40)12-3-13-42-29-27(28(35)39-42)25(19-26(38-29)21-6-7-21)20-8-10-23(11-9-20)36-30(43)37-24-5-2-4-22(18-24)31(32,33)34;1-37(2)23(39)12-13-38-26-24(25(32)36-38)21(15-22(35-26)17-6-7-17)16-8-10-19(11-9-16)33-27(40)34-20-5-3-4-18(14-20)28(29,30)31;27-26(28,29)16-2-1-3-18(12-16)33-25(38)32-17-8-6-14(7-9-17)19-13-20(15-4-5-15)34-24-22(19)23(31)35-36(24)11-10-21(30)37/h2,4-5,8-11,18-19,21H,3,6-7,12-17H2,1H3,(H2,35,39)(H2,36,37,43);3-5,8-11,14-15,17H,6-7,12-13H2,1-2H3,(H2,32,36)(H2,33,34,40);1-3,6-9,12-13,15H,4-5,10-11H2,(H2,30,37)(H2,31,35)(H2,32,33,38)
InChIKeyKMSCWKAZNQJLJP-UHFFFAOYSA-N
XLogP16.65
TPSA363.46 Ų
H-Bond Donors10
H-Bond Acceptors19
Rotatable Bonds22
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001667.76
LogP ≤ 516.65
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1019

Analyze 1-[4-[3-amino-6-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;3-[3-amino-6-cyclopropyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylpropanamide;3-[3-amino-6-cyclopropyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-1-yl]propanamide 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-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[3,4-b]pyridin-6-yl]-N-[2-(dimethylamino)ethyl]cyclopropane-1-carboxamide
CID 24889274
1-[4-[3-Amino-1-methyl-6-[1-(pyrrolidine-1-carbonyl)cyclopropyl]pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 24889278
1-[4-(3-Amino-6-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea
CID 57545701
1-[4-[3-Amino-6-cyclopropyl-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 57545702
3-[1-[3-Amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[3,4-b]pyridin-6-yl]cyclopropyl]-1,1-dimethylurea
CID 57545714
N-[1-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[3,4-b]pyridin-6-yl]cyclopropyl]acetamide
CID 57545719
3-[3-amino-6-cyclopropyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylpropanamide
CID 57545741
1-[4-[3-Amino-1-methyl-6-[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 57545753
1-[4-(3-Amino-6-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-[2-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea
CID 57545754
1-[4-[3-Amino-6-cyclopropyl-1-[2-(diethylamino)ethyl]pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 57545786
3-[3-Amino-6-cyclopropyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[3,4-b]pyridin-1-yl]propanamide
CID 57545787
1-[4-(3-Amino-6-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea
CID 57545789

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-amino-6-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;3-[3-amino-6-cyclopropyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylpropanamide;3-[3-amino-6-cyclopropyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-1-yl]propanamide?
The IUPAC name of 1-[4-[3-amino-6-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;3-[3-amino-6-cyclopropyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylpropanamide;3-[3-amino-6-cyclopropyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-1-yl]propanamide (CID 159179565) is 1-[4-[3-amino-6-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;3-[3-amino-6-cyclopropyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylpropanamide;3-[3-amino-6-cyclopropyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-1-yl]propanamide.
What is the SMILES notation for 1-[4-[3-amino-6-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;3-[3-amino-6-cyclopropyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylpropanamide;3-[3-amino-6-cyclopropyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-1-yl]propanamide?
The canonical SMILES for 1-[4-[3-amino-6-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;3-[3-amino-6-cyclopropyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylpropanamide;3-[3-amino-6-cyclopropyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-1-yl]propanamide is CN(C)C(=O)CCn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cc(C3CC3)nc21.CN1CCN(CCCn2nc(N)c3c(-c4ccc(NC(=O)Nc5cccc(C(F)(F)F)c5)cc4)cc(C4CC4)nc32)CC1.NC(=O)CCn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cc(C3CC3)nc21.
What is the InChIKey of 1-[4-[3-amino-6-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;3-[3-amino-6-cyclopropyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylpropanamide;3-[3-amino-6-cyclopropyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-1-yl]propanamide?
The InChIKey is KMSCWKAZNQJLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35F3N8O.C28H28F3N7O2.C26H24F3N7O2/c1-40-14-16-41(17-15-40)12-3-13-42-29-27(28(35)39-42)25(19-26(38-29)21-6-7-21)20-8-10-23(11-9-20)36-30(43)37-24-5-2-4-22(18-24)31(32,33)34;1-37(2)23(39)12-13-38-26-24(25(32)36-38)21(15-22(35-26)17-6-7-17)16-8-10-19(11-9-16)33-27(40)34-20-5-3-4-18(14-20)28(29,30)31;27-26(28,29)16-2-1-3-18(12-16)33-25(38)32-17-8-6-14(7-9-17)19-13-20(15-4-5-15)34-24-22(19)23(31)35-36(24)11-10-21(30)37/h2,4-5,8-11,18-19,21H,3,6-7,12-17H2,1H3,(H2,35,39)(H2,36,37,43);3-5,8-11,14-15,17H,6-7,12-13H2,1-2H3,(H2,32,36)(H2,33,34,40);1-3,6-9,12-13,15H,4-5,10-11H2,(H2,30,37)(H2,31,35)(H2,32,33,38).
What are the key properties of 1-[4-[3-amino-6-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;3-[3-amino-6-cyclopropyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylpropanamide;3-[3-amino-6-cyclopropyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-1-yl]propanamide?
1-[4-[3-amino-6-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;3-[3-amino-6-cyclopropyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylpropanamide;3-[3-amino-6-cyclopropyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-1-yl]propanamide has a molecular weight of 1667.76 g/mol, XLogP of 16.65, 22 rotatable bonds, 10 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-amino-6-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;3-[3-amino-6-cyclopropyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylpropanamide;3-[3-amino-6-cyclopropyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-1-yl]propanamide is sourced from PubChem (CID 159179565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).