4-chloro-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-(2-methylfuran-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide

C98H71ClF15N17O7 — CID 162265663

IUPAC4-chloro-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-(2-methylfuran-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
SMILESCNc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12.COc1ccccc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1occc1-c1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.N#Cc1ccc2c(c1)c(NC(=O)c1ccoc1)nn2Cc1ccc(C(F)(F)F)nc1.O=C(Nc1nn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)c1ccoc1
InChIInChI=1S/C23H18F3N3O2.C20H12F3N5O2.C20H14F3N3O2.C20H15F3N2O.C15H12ClF3N4/c1-31-20-9-5-3-7-18(20)22(30)27-21-17-6-2-4-8-19(17)29(28-21)14-15-10-12-16(13-11-15)23(24,25)26;21-20(22,23)17-4-2-13(9-25-17)10-28-16-3-1-12(8-24)7-15(16)18(27-28)26-19(29)14-5-6-30-11-14;21-20(22,23)15-5-3-4-13(10-15)11-26-17-7-2-1-6-16(17)18(25-26)24-19(27)14-8-9-28-12-14;1-13-16(10-11-26-13)19-17-4-2-3-5-18(17)25(24-19)12-14-6-8-15(9-7-14)20(21,22)23;1-20-14-13-11(16)6-21-7-12(13)23(22-14)8-9-2-4-10(5-3-9)15(17,18)19/h2-13H,14H2,1H3,(H,27,28,30);1-7,9,11H,10H2,(H,26,27,29);1-10,12H,11H2,(H,24,25,27);2-11H,12H2,1H3;2-7H,8H2,1H3,(H,20,22)
InChIKeyZZWGZEBQHXSMEG-UHFFFAOYSA-N
MW1919.18 g/mol
LogP24.39
Rot. Bonds19

About 4-chloro-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-(2-methylfuran-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide

4-chloro-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-(2-methylfuran-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide (PubChem CID 162265663) has the molecular formula C98H71ClF15N17O7 and a molecular weight of 1919.18 g/mol. Its IUPAC name is 4-chloro-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-(2-methylfuran-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-(2-methylfuran-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
PubChem CID162265663
Molecular FormulaC98H71ClF15N17O7
Molecular Weight1919.18 g/mol
Exact Mass1917.52
IUPAC Name4-chloro-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-(2-methylfuran-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
SMILESCNc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12.COc1ccccc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1occc1-c1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.N#Cc1ccc2c(c1)c(NC(=O)c1ccoc1)nn2Cc1ccc(C(F)(F)F)nc1.O=C(Nc1nn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)c1ccoc1
InChIInChI=1S/C23H18F3N3O2.C20H12F3N5O2.C20H14F3N3O2.C20H15F3N2O.C15H12ClF3N4/c1-31-20-9-5-3-7-18(20)22(30)27-21-17-6-2-4-8-19(17)29(28-21)14-15-10-12-16(13-11-15)23(24,25)26;21-20(22,23)17-4-2-13(9-25-17)10-28-16-3-1-12(8-24)7-15(16)18(27-28)26-19(29)14-5-6-30-11-14;21-20(22,23)15-5-3-4-13(10-15)11-26-17-7-2-1-6-16(17)18(25-26)24-19(27)14-8-9-28-12-14;1-13-16(10-11-26-13)19-17-4-2-3-5-18(17)25(24-19)12-14-6-8-15(9-7-14)20(21,22)23;1-20-14-13-11(16)6-21-7-12(13)23(22-14)8-9-2-4-10(5-3-9)15(17,18)19/h2-13H,14H2,1H3,(H,27,28,30);1-7,9,11H,10H2,(H,26,27,29);1-10,12H,11H2,(H,24,25,27);2-11H,12H2,1H3;2-7H,8H2,1H3,(H,20,22)
InChIKeyZZWGZEBQHXSMEG-UHFFFAOYSA-N
XLogP24.39
TPSA286.65 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds19
Heavy Atoms138
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001919.18
LogP ≤ 524.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze 4-chloro-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-(2-methylfuran-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-(2-methylfuran-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide?
The IUPAC name of 4-chloro-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-(2-methylfuran-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide (CID 162265663) is 4-chloro-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-(2-methylfuran-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide.
What is the SMILES notation for 4-chloro-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-(2-methylfuran-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide?
The canonical SMILES for 4-chloro-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-(2-methylfuran-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide is CNc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12.COc1ccccc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1occc1-c1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.N#Cc1ccc2c(c1)c(NC(=O)c1ccoc1)nn2Cc1ccc(C(F)(F)F)nc1.O=C(Nc1nn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)c1ccoc1.
What is the InChIKey of 4-chloro-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-(2-methylfuran-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide?
The InChIKey is ZZWGZEBQHXSMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O2.C20H12F3N5O2.C20H14F3N3O2.C20H15F3N2O.C15H12ClF3N4/c1-31-20-9-5-3-7-18(20)22(30)27-21-17-6-2-4-8-19(17)29(28-21)14-15-10-12-16(13-11-15)23(24,25)26;21-20(22,23)17-4-2-13(9-25-17)10-28-16-3-1-12(8-24)7-15(16)18(27-28)26-19(29)14-5-6-30-11-14;21-20(22,23)15-5-3-4-13(10-15)11-26-17-7-2-1-6-16(17)18(25-26)24-19(27)14-8-9-28-12-14;1-13-16(10-11-26-13)19-17-4-2-3-5-18(17)25(24-19)12-14-6-8-15(9-7-14)20(21,22)23;1-20-14-13-11(16)6-21-7-12(13)23(22-14)8-9-2-4-10(5-3-9)15(17,18)19/h2-13H,14H2,1H3,(H,27,28,30);1-7,9,11H,10H2,(H,26,27,29);1-10,12H,11H2,(H,24,25,27);2-11H,12H2,1H3;2-7H,8H2,1H3,(H,20,22).
What are the key properties of 4-chloro-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-(2-methylfuran-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide?
4-chloro-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-(2-methylfuran-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide has a molecular weight of 1919.18 g/mol, XLogP of 24.39, 19 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine;N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-(2-methylfuran-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide is sourced from PubChem (CID 162265663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).