1-[3-fluoro-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[3-hydroxy-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[3-methoxy-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea

C64H49F10N15O5 — CID 160551729

IUPAC1-[3-fluoro-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[3-hydroxy-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[3-methoxy-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCOc1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)ccc1-c1cncc2c1cnn2C.Cn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3F)cncc21.Cn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3O)cncc21
InChIInChI=1S/C22H18F3N5O2.C21H15F4N5O.C21H16F3N5O2/c1-30-19-12-26-10-17(18(19)11-27-30)16-7-6-15(9-20(16)32-2)29-21(31)28-14-5-3-4-13(8-14)22(23,24)25;1-30-19-11-26-9-16(17(19)10-27-30)15-6-5-14(8-18(15)22)29-20(31)28-13-4-2-3-12(7-13)21(23,24)25;1-29-18-11-25-9-16(17(18)10-26-29)15-6-5-14(8-19(15)30)28-20(31)27-13-4-2-3-12(7-13)21(22,23)24/h3-12H,1-2H3,(H2,28,29,31);2-11H,1H3,(H2,28,29,31);2-11,30H,1H3,(H2,27,28,31)
InChIKeyQYDYFTOFRPZRQL-UHFFFAOYSA-N
MW1298.18 g/mol
LogP15.75
Rot. Bonds10

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

1-[3-fluoro-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[3-hydroxy-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[3-methoxy-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 160551729) has the molecular formula C64H49F10N15O5 and a molecular weight of 1298.18 g/mol. Its IUPAC name is 1-[3-fluoro-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[3-hydroxy-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[3-methoxy-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[3-fluoro-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[3-hydroxy-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[3-methoxy-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID160551729
Molecular FormulaC64H49F10N15O5
Molecular Weight1298.18 g/mol
Exact Mass1297.39
IUPAC Name1-[3-fluoro-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[3-hydroxy-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[3-methoxy-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCOc1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)ccc1-c1cncc2c1cnn2C.Cn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3F)cncc21.Cn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3O)cncc21
InChIInChI=1S/C22H18F3N5O2.C21H15F4N5O.C21H16F3N5O2/c1-30-19-12-26-10-17(18(19)11-27-30)16-7-6-15(9-20(16)32-2)29-21(31)28-14-5-3-4-13(8-14)22(23,24)25;1-30-19-11-26-9-16(17(19)10-27-30)15-6-5-14(8-18(15)22)29-20(31)28-13-4-2-3-12(7-13)21(23,24)25;1-29-18-11-25-9-16(17(18)10-26-29)15-6-5-14(8-19(15)30)28-20(31)27-13-4-2-3-12(7-13)21(22,23)24/h3-12H,1-2H3,(H2,28,29,31);2-11H,1H3,(H2,28,29,31);2-11,30H,1H3,(H2,27,28,31)
InChIKeyQYDYFTOFRPZRQL-UHFFFAOYSA-N
XLogP15.75
TPSA244.98 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001298.18
LogP ≤ 515.75
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

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

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Related Compounds

1-[4-(1-Methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 57606793
1-(2-Fluoro-5-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea
CID 57606878
1-[3-Methoxy-4-(1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 57606930
1-[4-[1-[(4-Methoxyphenyl)methyl]pyrazolo[3,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 57606947
1-[3-Hydroxy-4-(1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 135966938
1-(3-ethyl-5-fluoro-4-pyridinyl)-7-methoxy-8-(1-methylpyrazol-4-yl)-3H-imidazo[4,5-c]quinolin-2-one
CID 146228419
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
1-[4-[(1-Methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-(oxan-4-yloxy)-3-(trifluoromethyl)phenyl]urea;1-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-piperidin-4-yloxy-3-(trifluoromethyl)phenyl]urea
CID 159080066
Tris(1-(4-fluoro-3-methylphenyl)-3-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]urea);methane;1-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 159118513
1-[2-fluoro-4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[2-hydroxy-4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]urea
CID 159845043
1-[2-Hydroxy-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[2-methoxy-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;1-[2-methyl-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea
CID 160033754
1-[4-(6-Tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[4-(diethylaminomethyl)-3-(trifluoromethyl)phenyl]urea;1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea;1-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]urea
CID 161042333

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[3-hydroxy-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[3-methoxy-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[3-fluoro-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[3-hydroxy-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[3-methoxy-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 160551729) is 1-[3-fluoro-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[3-hydroxy-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[3-methoxy-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[3-fluoro-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[3-hydroxy-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[3-methoxy-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[3-fluoro-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[3-hydroxy-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[3-methoxy-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea is COc1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)ccc1-c1cncc2c1cnn2C.Cn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3F)cncc21.Cn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3O)cncc21.
What is the InChIKey of 1-[3-fluoro-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[3-hydroxy-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[3-methoxy-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is QYDYFTOFRPZRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O2.C21H15F4N5O.C21H16F3N5O2/c1-30-19-12-26-10-17(18(19)11-27-30)16-7-6-15(9-20(16)32-2)29-21(31)28-14-5-3-4-13(8-14)22(23,24)25;1-30-19-11-26-9-16(17(19)10-27-30)15-6-5-14(8-18(15)22)29-20(31)28-13-4-2-3-12(7-13)21(23,24)25;1-29-18-11-25-9-16(17(18)10-26-29)15-6-5-14(8-19(15)30)28-20(31)27-13-4-2-3-12(7-13)21(22,23)24/h3-12H,1-2H3,(H2,28,29,31);2-11H,1H3,(H2,28,29,31);2-11,30H,1H3,(H2,27,28,31).
What are the key properties of 1-[3-fluoro-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[3-hydroxy-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[3-methoxy-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[3-fluoro-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[3-hydroxy-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[3-methoxy-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 1298.18 g/mol, XLogP of 15.75, 10 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[3-hydroxy-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[3-methoxy-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 160551729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).