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

C77H56F12N18O7S — CID 159597451

IUPAC2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;3-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide
SMILESCc1ncsc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.Cc1nocc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12)c1ccoc1
InChIInChI=1S/C20H15F3N4O2.C19H14F3N5O2.C19H14F3N5OS.C19H13F3N4O2/c1-12-14(8-9-29-12)19(28)25-18-15-4-2-3-5-16(15)27(26-18)11-13-6-7-17(24-10-13)20(21,22)23;1-11-14(10-29-26-11)18(28)24-17-13-4-2-3-5-15(13)27(25-17)9-12-6-7-16(23-8-12)19(20,21)22;1-11-16(29-10-24-11)18(28)25-17-13-4-2-3-5-14(13)27(26-17)9-12-6-7-15(23-8-12)19(20,21)22;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/h2-10H,11H2,1H3,(H,25,26,28);2-8,10H,9H2,1H3,(H,24,25,28);2-8,10H,9H2,1H3,(H,25,26,28);1-9,11H,10H2,(H,24,25,27)
InChIKeyMLAOWYPNEGXWNF-UHFFFAOYSA-N
MW1605.46 g/mol
LogP17.56
Rot. Bonds16

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

2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;3-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide (PubChem CID 159597451) has the molecular formula C77H56F12N18O7S and a molecular weight of 1605.46 g/mol. Its IUPAC name is 2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;3-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;3-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide
PubChem CID159597451
Molecular FormulaC77H56F12N18O7S
Molecular Weight1605.46 g/mol
Exact Mass1604.41
IUPAC Name2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;3-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide
SMILESCc1ncsc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.Cc1nocc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12)c1ccoc1
InChIInChI=1S/C20H15F3N4O2.C19H14F3N5O2.C19H14F3N5OS.C19H13F3N4O2/c1-12-14(8-9-29-12)19(28)25-18-15-4-2-3-5-16(15)27(26-18)11-13-6-7-17(24-10-13)20(21,22)23;1-11-14(10-29-26-11)18(28)24-17-13-4-2-3-5-15(13)27(25-17)9-12-6-7-16(23-8-12)19(20,21)22;1-11-16(29-10-24-11)18(28)25-17-13-4-2-3-5-14(13)27(26-17)9-12-6-7-15(23-8-12)19(20,21)22;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/h2-10H,11H2,1H3,(H,25,26,28);2-8,10H,9H2,1H3,(H,24,25,28);2-8,10H,9H2,1H3,(H,25,26,28);1-9,11H,10H2,(H,24,25,27)
InChIKeyMLAOWYPNEGXWNF-UHFFFAOYSA-N
XLogP17.56
TPSA304.44 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms115
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001605.46
LogP ≤ 517.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze 2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;3-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-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-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;3-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;3-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide (CID 159597451) is 2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;3-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;3-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;3-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide is Cc1ncsc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.Cc1nocc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12)c1ccoc1.
What is the InChIKey of 2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;3-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide?
The InChIKey is MLAOWYPNEGXWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2.C19H14F3N5O2.C19H14F3N5OS.C19H13F3N4O2/c1-12-14(8-9-29-12)19(28)25-18-15-4-2-3-5-16(15)27(26-18)11-13-6-7-17(24-10-13)20(21,22)23;1-11-14(10-29-26-11)18(28)24-17-13-4-2-3-5-15(13)27(25-17)9-12-6-7-16(23-8-12)19(20,21)22;1-11-16(29-10-24-11)18(28)25-17-13-4-2-3-5-14(13)27(26-17)9-12-6-7-15(23-8-12)19(20,21)22;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/h2-10H,11H2,1H3,(H,25,26,28);2-8,10H,9H2,1H3,(H,24,25,28);2-8,10H,9H2,1H3,(H,25,26,28);1-9,11H,10H2,(H,24,25,27).
What are the key properties of 2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;3-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide?
2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;3-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide has a molecular weight of 1605.46 g/mol, XLogP of 17.56, 16 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;3-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide is sourced from PubChem (CID 159597451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).