3-bromo-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;4-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine

C68H47Br2F12N13O3S — CID 157261592

IUPAC3-bromo-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;4-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine
SMILESFC(F)(F)c1ccc(Cn2nc(Br)c3ccccc32)cc1.Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cnco1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cscc1Br
InChIInChI=1S/C20H13BrF3N3OS.C19H13F3N4O2.C15H10BrF3N2.C14H11F3N4/c21-16-11-29-10-15(16)19(28)25-18-14-3-1-2-4-17(14)27(26-18)9-12-5-7-13(8-6-12)20(22,23)24;20-19(21,22)13-7-5-12(6-8-13)10-26-15-4-2-1-3-14(15)17(25-26)24-18(27)16-9-23-11-28-16;16-14-12-3-1-2-4-13(12)21(20-14)9-10-5-7-11(8-6-10)15(17,18)19;15-14(16,17)12-6-5-9(7-19-12)8-21-11-4-2-1-3-10(11)13(18)20-21/h1-8,10-11H,9H2,(H,25,26,28);1-9,11H,10H2,(H,24,25,27);1-8H,9H2;1-7H,8H2,(H2,18,20)
InChIKeyAXNKRJOOBKWULA-UHFFFAOYSA-N
MW1514.06 g/mol
LogP18.47
Rot. Bonds12

About 3-bromo-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;4-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine

3-bromo-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;4-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine (PubChem CID 157261592) has the molecular formula C68H47Br2F12N13O3S and a molecular weight of 1514.06 g/mol. Its IUPAC name is 3-bromo-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;4-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine.

Molecular Properties

Compound Name3-bromo-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;4-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine
PubChem CID157261592
Molecular FormulaC68H47Br2F12N13O3S
Molecular Weight1514.06 g/mol
Exact Mass1511.18
IUPAC Name3-bromo-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;4-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine
SMILESFC(F)(F)c1ccc(Cn2nc(Br)c3ccccc32)cc1.Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cnco1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cscc1Br
InChIInChI=1S/C20H13BrF3N3OS.C19H13F3N4O2.C15H10BrF3N2.C14H11F3N4/c21-16-11-29-10-15(16)19(28)25-18-14-3-1-2-4-17(14)27(26-18)9-12-5-7-13(8-6-12)20(22,23)24;20-19(21,22)13-7-5-12(6-8-13)10-26-15-4-2-1-3-14(15)17(25-26)24-18(27)16-9-23-11-28-16;16-14-12-3-1-2-4-13(12)21(20-14)9-10-5-7-11(8-6-10)15(17,18)19;15-14(16,17)12-6-5-9(7-19-12)8-21-11-4-2-1-3-10(11)13(18)20-21/h1-8,10-11H,9H2,(H,25,26,28);1-9,11H,10H2,(H,24,25,27);1-8H,9H2;1-7H,8H2,(H2,18,20)
InChIKeyAXNKRJOOBKWULA-UHFFFAOYSA-N
XLogP18.47
TPSA194.42 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001514.06
LogP ≤ 518.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 3-bromo-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;4-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine with MolForge

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Related Compounds

2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide
CID 158001466
4-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide
CID 158743022
2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide;3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide
CID 160240514
4-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;3-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide;3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide
CID 161610177

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;4-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine?
The IUPAC name of 3-bromo-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;4-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine (CID 157261592) is 3-bromo-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;4-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine.
What is the SMILES notation for 3-bromo-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;4-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine?
The canonical SMILES for 3-bromo-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;4-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine is FC(F)(F)c1ccc(Cn2nc(Br)c3ccccc32)cc1.Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cnco1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cscc1Br.
What is the InChIKey of 3-bromo-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;4-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine?
The InChIKey is AXNKRJOOBKWULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrF3N3OS.C19H13F3N4O2.C15H10BrF3N2.C14H11F3N4/c21-16-11-29-10-15(16)19(28)25-18-14-3-1-2-4-17(14)27(26-18)9-12-5-7-13(8-6-12)20(22,23)24;20-19(21,22)13-7-5-12(6-8-13)10-26-15-4-2-1-3-14(15)17(25-26)24-18(27)16-9-23-11-28-16;16-14-12-3-1-2-4-13(12)21(20-14)9-10-5-7-11(8-6-10)15(17,18)19;15-14(16,17)12-6-5-9(7-19-12)8-21-11-4-2-1-3-10(11)13(18)20-21/h1-8,10-11H,9H2,(H,25,26,28);1-9,11H,10H2,(H,24,25,27);1-8H,9H2;1-7H,8H2,(H2,18,20).
What are the key properties of 3-bromo-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;4-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine?
3-bromo-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;4-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine has a molecular weight of 1514.06 g/mol, XLogP of 18.47, 12 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;4-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide;1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-amine is sourced from PubChem (CID 157261592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).