1-[4-(5-amino-1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea

C68H59F9N18O4 — CID 162082561

IUPAC1-[4-(5-amino-1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c(N)ncc21.Cn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cnc(CN3CCOCC3)c21.Cn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cnc(N)c21
InChIInChI=1S/C26H25F3N6O2.2C21H17F3N6O/c1-34-24-22(15-31-34)21(14-30-23(24)16-35-9-11-37-12-10-35)17-5-7-19(8-6-17)32-25(36)33-20-4-2-3-18(13-20)26(27,28)29;1-30-17-11-26-19(25)18(16(17)10-27-30)12-5-7-14(8-6-12)28-20(31)29-15-4-2-3-13(9-15)21(22,23)24;1-30-18-17(11-27-30)16(10-26-19(18)25)12-5-7-14(8-6-12)28-20(31)29-15-4-2-3-13(9-15)21(22,23)24/h2-8,13-15H,9-12,16H2,1H3,(H2,32,33,36);2*2-11H,1H3,(H2,25,26)(H2,28,29,31)
InChIKeyZCNKZIOJHBBZOP-UHFFFAOYSA-N
MW1363.32 g/mol
LogP14.89
Rot. Bonds11

About 1-[4-(5-amino-1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea

1-[4-(5-amino-1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 162082561) has the molecular formula C68H59F9N18O4 and a molecular weight of 1363.32 g/mol. Its IUPAC name is 1-[4-(5-amino-1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-(5-amino-1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID162082561
Molecular FormulaC68H59F9N18O4
Molecular Weight1363.32 g/mol
Exact Mass1362.48
IUPAC Name1-[4-(5-amino-1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c(N)ncc21.Cn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cnc(CN3CCOCC3)c21.Cn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cnc(N)c21
InChIInChI=1S/C26H25F3N6O2.2C21H17F3N6O/c1-34-24-22(15-31-34)21(14-30-23(24)16-35-9-11-37-12-10-35)17-5-7-19(8-6-17)32-25(36)33-20-4-2-3-18(13-20)26(27,28)29;1-30-17-11-26-19(25)18(16(17)10-27-30)12-5-7-14(8-6-12)28-20(31)29-15-4-2-3-13(9-15)21(22,23)24;1-30-18-17(11-27-30)16(10-26-19(18)25)12-5-7-14(8-6-12)28-20(31)29-15-4-2-3-13(9-15)21(22,23)24/h2-8,13-15H,9-12,16H2,1H3,(H2,32,33,36);2*2-11H,1H3,(H2,25,26)(H2,28,29,31)
InChIKeyZCNKZIOJHBBZOP-UHFFFAOYSA-N
XLogP14.89
TPSA280.03 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001363.32
LogP ≤ 514.89
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze 1-[4-(5-amino-1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea with MolForge

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Related Compounds

1-[4-[1-(2-hydroxyethyl)-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 59592763
1-[4-[3-amino-7-(morpholin-4-ylmethyl)-1H-indazol-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;toluene
CID 159650775
1-[4-[2-(3-morpholin-4-ylpropyl)pyrimidin-5-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 148671648
1-[4-[6-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1-methylpyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 59592800
1-N-[4-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-1-N'-[3-(trifluoromethyl)phenyl]ethene-1,1-diamine
CID 89264866
1-[4-[4-amino-6-methyl-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-3-[2-methyl-5-(trifluoromethyl)phenyl]urea
CID 163552749
1-(1-methylindazol-5-yl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 69240065
1-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]urea
CID 24991972
1-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N-ethylcyclopropane-1-carboxamide
CID 24889102
1-[1-ethyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide
CID 59592786
1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 19326759
1-[4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-3-(3-iodo-4-methylphenyl)urea
CID 66827153

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-amino-1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[4-(5-amino-1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 162082561) is 1-[4-(5-amino-1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[4-(5-amino-1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[4-(5-amino-1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea is Cn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c(N)ncc21.Cn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cnc(CN3CCOCC3)c21.Cn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cnc(N)c21.
What is the InChIKey of 1-[4-(5-amino-1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is ZCNKZIOJHBBZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N6O2.2C21H17F3N6O/c1-34-24-22(15-31-34)21(14-30-23(24)16-35-9-11-37-12-10-35)17-5-7-19(8-6-17)32-25(36)33-20-4-2-3-18(13-20)26(27,28)29;1-30-17-11-26-19(25)18(16(17)10-27-30)12-5-7-14(8-6-12)28-20(31)29-15-4-2-3-13(9-15)21(22,23)24;1-30-18-17(11-27-30)16(10-26-19(18)25)12-5-7-14(8-6-12)28-20(31)29-15-4-2-3-13(9-15)21(22,23)24/h2-8,13-15H,9-12,16H2,1H3,(H2,32,33,36);2*2-11H,1H3,(H2,25,26)(H2,28,29,31).
What are the key properties of 1-[4-(5-amino-1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[4-(5-amino-1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 1363.32 g/mol, XLogP of 14.89, 11 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-amino-1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-methyl-7-(morpholin-4-ylmethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 162082561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).