N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;2-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[5-(trifluoromethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide

C80H54F16N18O6 — CID 160974544

IUPACN-[1-[(4-fluorophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;2-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[5-(trifluoromethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide
SMILESCc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccno1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccc(C(F)(F)F)cc12)c1cccnn1.O=C(Nc1nn(Cc2ccc(F)cc2)c2ccccc12)c1cccnn1
InChIInChI=1S/C22H15F6N3O2.C20H12F6N6O.C19H13F3N4O2.C19H14FN5O/c1-12-16(8-9-33-12)20(32)29-19-17-10-15(22(26,27)28)6-7-18(17)31(30-19)11-13-2-4-14(5-3-13)21(23,24)25;21-19(22,23)12-4-5-15-13(8-12)17(29-18(33)14-2-1-7-28-30-14)31-32(15)10-11-3-6-16(27-9-11)20(24,25)26;20-19(21,22)13-7-5-12(6-8-13)11-26-15-4-2-1-3-14(15)17(25-26)24-18(27)16-9-10-23-28-16;20-14-9-7-13(8-10-14)12-25-17-6-2-1-4-15(17)18(24-25)22-19(26)16-5-3-11-21-23-16/h2-10H,11H2,1H3,(H,29,30,32);1-9H,10H2,(H,29,31,33);1-10H,11H2,(H,24,25,27);1-11H,12H2,(H,22,24,26)
InChIKeySYROYCDKEWONMO-UHFFFAOYSA-N
MW1667.40 g/mol
LogP18.45
Rot. Bonds16

About N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;2-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[5-(trifluoromethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide

N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;2-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[5-(trifluoromethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide (PubChem CID 160974544) has the molecular formula C80H54F16N18O6 and a molecular weight of 1667.40 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;2-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[5-(trifluoromethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;2-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[5-(trifluoromethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide
PubChem CID160974544
Molecular FormulaC80H54F16N18O6
Molecular Weight1667.40 g/mol
Exact Mass1666.42
IUPAC NameN-[1-[(4-fluorophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;2-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[5-(trifluoromethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide
SMILESCc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccno1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccc(C(F)(F)F)cc12)c1cccnn1.O=C(Nc1nn(Cc2ccc(F)cc2)c2ccccc12)c1cccnn1
InChIInChI=1S/C22H15F6N3O2.C20H12F6N6O.C19H13F3N4O2.C19H14FN5O/c1-12-16(8-9-33-12)20(32)29-19-17-10-15(22(26,27)28)6-7-18(17)31(30-19)11-13-2-4-14(5-3-13)21(23,24)25;21-19(22,23)12-4-5-15-13(8-12)17(29-18(33)14-2-1-7-28-30-14)31-32(15)10-11-3-6-16(27-9-11)20(24,25)26;20-19(21,22)13-7-5-12(6-8-13)11-26-15-4-2-1-3-14(15)17(25-26)24-18(27)16-9-10-23-28-16;20-14-9-7-13(8-10-14)12-25-17-6-2-1-4-15(17)18(24-25)22-19(26)16-5-3-11-21-23-16/h2-10H,11H2,1H3,(H,29,30,32);1-9H,10H2,(H,29,31,33);1-10H,11H2,(H,24,25,27);1-11H,12H2,(H,22,24,26)
InChIKeySYROYCDKEWONMO-UHFFFAOYSA-N
XLogP18.45
TPSA291.30 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms120
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001667.40
LogP ≤ 518.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;2-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[5-(trifluoromethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;2-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[5-(trifluoromethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;2-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[5-(trifluoromethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide (CID 160974544) is N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;2-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[5-(trifluoromethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;2-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[5-(trifluoromethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;2-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[5-(trifluoromethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide is Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccno1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccc(C(F)(F)F)cc12)c1cccnn1.O=C(Nc1nn(Cc2ccc(F)cc2)c2ccccc12)c1cccnn1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;2-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[5-(trifluoromethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide?
The InChIKey is SYROYCDKEWONMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F6N3O2.C20H12F6N6O.C19H13F3N4O2.C19H14FN5O/c1-12-16(8-9-33-12)20(32)29-19-17-10-15(22(26,27)28)6-7-18(17)31(30-19)11-13-2-4-14(5-3-13)21(23,24)25;21-19(22,23)12-4-5-15-13(8-12)17(29-18(33)14-2-1-7-28-30-14)31-32(15)10-11-3-6-16(27-9-11)20(24,25)26;20-19(21,22)13-7-5-12(6-8-13)11-26-15-4-2-1-3-14(15)17(25-26)24-18(27)16-9-10-23-28-16;20-14-9-7-13(8-10-14)12-25-17-6-2-1-4-15(17)18(24-25)22-19(26)16-5-3-11-21-23-16/h2-10H,11H2,1H3,(H,29,30,32);1-9H,10H2,(H,29,31,33);1-10H,11H2,(H,24,25,27);1-11H,12H2,(H,22,24,26).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;2-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[5-(trifluoromethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide?
N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;2-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[5-(trifluoromethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide has a molecular weight of 1667.40 g/mol, XLogP of 18.45, 16 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;2-methyl-N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[5-(trifluoromethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 160974544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).