methyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate

C20H14F3N5O2 — CID 118664470

IUPACmethyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate
SMILESCOC(=O)c1cc(-c2cncc(N)c2)cc2c1cnn2-c1cccc(C(F)(F)F)n1
InChIInChI=1S/C20H14F3N5O2/c1-30-19(29)14-6-11(12-5-13(24)9-25-8-12)7-16-15(14)10-26-28(16)18-4-2-3-17(27-18)20(21,22)23/h2-10H,24H2,1H3
InChIKeyVLRJGYPCLIDZIT-UHFFFAOYSA-N
MW413.36 g/mol
LogP3.87
Rot. Bonds3

About methyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate

methyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate (PubChem CID 118664470) has the molecular formula C20H14F3N5O2 and a molecular weight of 413.36 g/mol. Its IUPAC name is methyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate
PubChem CID118664470
Molecular FormulaC20H14F3N5O2
Molecular Weight413.36 g/mol
Exact Mass413.11
IUPAC Namemethyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate
SMILESCOC(=O)c1cc(-c2cncc(N)c2)cc2c1cnn2-c1cccc(C(F)(F)F)n1
InChIInChI=1S/C20H14F3N5O2/c1-30-19(29)14-6-11(12-5-13(24)9-25-8-12)7-16-15(14)10-26-28(16)18-4-2-3-17(27-18)20(21,22)23/h2-10H,24H2,1H3
InChIKeyVLRJGYPCLIDZIT-UHFFFAOYSA-N
XLogP3.87
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzoate
CID 54767418
Ethyl 3-methyl-6-phenyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 5114916
1-(Pyridin-4-ylmethyl)-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600251
Methyl 4-[6-(pyridin-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoate
CID 91800785
Ethyl 4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-7-(trifluoromethyl)quinoline-3-carboxylate
CID 134152719
2-Methyl-4-[6-[6-(propan-2-ylamino)indazol-1-yl]pyrazin-2-yl]benzoic acid
CID 145967603
3-Fluoro-4-[6-[6-(propan-2-ylamino)indazol-1-yl]pyrazin-2-yl]benzoic acid
CID 145968637
2-Fluoro-4-[6-[6-(propan-2-ylamino)indazol-1-yl]pyrazin-2-yl]benzoic acid
CID 145971039
methyl 4-[6-phenyl-3-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)-1,2,4-triazin-5-yl]benzoate
CID 168291546
methyl 4-[5-phenyl-3-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)-1,2,4-triazin-6-yl]benzoate
CID 168297809
Methyl 2-[4-(1-aminocyclobutyl)phenyl]-3-phenylpyrimido[1,2-b]indazole-8-carboxylate
CID 57377982
Methyl 5-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylpyrimido[1,2-b]indazol-8-yl]pyridine-2-carboxylate
CID 57378089

Frequently Asked Questions

What is the IUPAC name of methyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate?
The IUPAC name of methyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate (CID 118664470) is methyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate.
What is the SMILES notation for methyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate?
The canonical SMILES for methyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate is COC(=O)c1cc(-c2cncc(N)c2)cc2c1cnn2-c1cccc(C(F)(F)F)n1.
What is the InChIKey of methyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate?
The InChIKey is VLRJGYPCLIDZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O2/c1-30-19(29)14-6-11(12-5-13(24)9-25-8-12)7-16-15(14)10-26-28(16)18-4-2-3-17(27-18)20(21,22)23/h2-10H,24H2,1H3.
What are the key properties of methyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate?
methyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate has a molecular weight of 413.36 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate is sourced from PubChem (CID 118664470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).