2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide

C79H54Cl2F9N17O6S — CID 161132782

IUPAC2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12.N#Cc1ccc(Cn2nc(NC(=O)c3cccnn3)c3ccccc32)cc1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccsc1Cl.O=C(Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12)c1ccoc1
InChIInChI=1S/C20H14ClF3N4O2.C20H13ClF3N3OS.C20H14N6O.C19H13F3N4O2/c1-11-14(6-7-30-11)19(29)26-18-17-15(21)8-25-9-16(17)28(27-18)10-12-2-4-13(5-3-12)20(22,23)24;21-17-15(9-10-29-17)19(28)25-18-14-3-1-2-4-16(14)27(26-18)11-12-5-7-13(8-6-12)20(22,23)24;21-12-14-7-9-15(10-8-14)13-26-18-6-2-1-4-16(18)19(25-26)23-20(27)17-5-3-11-22-24-17;20-19(21,22)16-6-5-12(9-23-16)10-26-15-4-2-1-3-14(15)17(25-26)24-18(27)13-7-8-28-11-13/h2-9H,10H2,1H3,(H,26,27,29);1-10H,11H2,(H,25,26,28);1-11H,13H2,(H,23,25,27);1-9,11H,10H2,(H,24,25,27)
InChIKeyUMKHVXCHXIPIOL-UHFFFAOYSA-N
MW1611.37 g/mol
LogP18.72
Rot. Bonds16

About 2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide

2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide (PubChem CID 161132782) has the molecular formula C79H54Cl2F9N17O6S and a molecular weight of 1611.37 g/mol. Its IUPAC name is 2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide
PubChem CID161132782
Molecular FormulaC79H54Cl2F9N17O6S
Molecular Weight1611.37 g/mol
Exact Mass1609.34
IUPAC Name2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12.N#Cc1ccc(Cn2nc(NC(=O)c3cccnn3)c3ccccc32)cc1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccsc1Cl.O=C(Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12)c1ccoc1
InChIInChI=1S/C20H14ClF3N4O2.C20H13ClF3N3OS.C20H14N6O.C19H13F3N4O2/c1-11-14(6-7-30-11)19(29)26-18-17-15(21)8-25-9-16(17)28(27-18)10-12-2-4-13(5-3-12)20(22,23)24;21-17-15(9-10-29-17)19(28)25-18-14-3-1-2-4-16(14)27(26-18)11-12-5-7-13(8-6-12)20(22,23)24;21-12-14-7-9-15(10-8-14)13-26-18-6-2-1-4-16(18)19(25-26)23-20(27)17-5-3-11-22-24-17;20-19(21,22)16-6-5-12(9-23-16)10-26-15-4-2-1-3-14(15)17(25-26)24-18(27)13-7-8-28-11-13/h2-9H,10H2,1H3,(H,26,27,29);1-10H,11H2,(H,25,26,28);1-11H,13H2,(H,23,25,27);1-9,11H,10H2,(H,24,25,27)
InChIKeyUMKHVXCHXIPIOL-UHFFFAOYSA-N
XLogP18.72
TPSA289.31 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms114
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001611.37
LogP ≤ 518.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide?
The IUPAC name of 2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide (CID 161132782) is 2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide is Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12.N#Cc1ccc(Cn2nc(NC(=O)c3cccnn3)c3ccccc32)cc1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccsc1Cl.O=C(Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12)c1ccoc1.
What is the InChIKey of 2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide?
The InChIKey is UMKHVXCHXIPIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N4O2.C20H13ClF3N3OS.C20H14N6O.C19H13F3N4O2/c1-11-14(6-7-30-11)19(29)26-18-17-15(21)8-25-9-16(17)28(27-18)10-12-2-4-13(5-3-12)20(22,23)24;21-17-15(9-10-29-17)19(28)25-18-14-3-1-2-4-16(14)27(26-18)11-12-5-7-13(8-6-12)20(22,23)24;21-12-14-7-9-15(10-8-14)13-26-18-6-2-1-4-16(18)19(25-26)23-20(27)17-5-3-11-22-24-17;20-19(21,22)16-6-5-12(9-23-16)10-26-15-4-2-1-3-14(15)17(25-26)24-18(27)13-7-8-28-11-13/h2-9H,10H2,1H3,(H,26,27,29);1-10H,11H2,(H,25,26,28);1-11H,13H2,(H,23,25,27);1-9,11H,10H2,(H,24,25,27).
What are the key properties of 2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide?
2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide has a molecular weight of 1611.37 g/mol, XLogP of 18.72, 16 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-cyanophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide is sourced from PubChem (CID 161132782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).