methyl 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate;methyl 6-methyl-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate

C41H29F6N9O4 — CID 159703035

IUPACmethyl 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate;methyl 6-methyl-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)cc(C)n1.COC(=O)c1cc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)cc(N)n1
InChIInChI=1S/C21H15F3N4O2.C20H14F3N5O2/c1-12-8-15(9-16(26-12)20(29)30-2)13-6-7-14-11-25-28(17(14)10-13)19-5-3-4-18(27-19)21(22,23)24;1-30-19(29)14-7-13(9-17(24)26-14)11-5-6-12-10-25-28(15(12)8-11)18-4-2-3-16(27-18)20(21,22)23/h3-11H,1-2H3;2-10H,1H3,(H2,24,26)
InChIKeyMXWFSAOISWEVLC-UHFFFAOYSA-N
MW825.73 g/mol
LogP8.47
Rot. Bonds6

About methyl 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate;methyl 6-methyl-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate

methyl 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate;methyl 6-methyl-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate (PubChem CID 159703035) has the molecular formula C41H29F6N9O4 and a molecular weight of 825.73 g/mol. Its IUPAC name is methyl 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate;methyl 6-methyl-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate;methyl 6-methyl-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate
PubChem CID159703035
Molecular FormulaC41H29F6N9O4
Molecular Weight825.73 g/mol
Exact Mass825.22
IUPAC Namemethyl 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate;methyl 6-methyl-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)cc(C)n1.COC(=O)c1cc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)cc(N)n1
InChIInChI=1S/C21H15F3N4O2.C20H14F3N5O2/c1-12-8-15(9-16(26-12)20(29)30-2)13-6-7-14-11-25-28(17(14)10-13)19-5-3-4-18(27-19)21(22,23)24;1-30-19(29)14-7-13(9-17(24)26-14)11-5-6-12-10-25-28(15(12)8-11)18-4-2-3-16(27-18)20(21,22)23/h3-11H,1-2H3;2-10H,1H3,(H2,24,26)
InChIKeyMXWFSAOISWEVLC-UHFFFAOYSA-N
XLogP8.47
TPSA165.82 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500825.73
LogP ≤ 58.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze methyl 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate;methyl 6-methyl-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate with MolForge

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Related Compounds

Methyl 5-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylpyrimido[1,2-b]indazol-8-yl]pyridine-2-carboxylate
CID 57378089
US10246456, Example 50
CID 118664470
US10246456, Example 213
CID 118663561
US10246456, Example 243
CID 118663733
Methyl 6-(5-aminopyridin-3-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]indazole-4-carboxylate
CID 118663843
Methyl 6-amino-4-[1-[6-(trifluoromethyl)pyridin-2-yl]indazol-6-yl]pyridine-2-carboxylate
CID 118663886
Methyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[1-[6-(trifluoromethyl)pyridin-2-yl]indazol-6-yl]pyridine-2-carboxylate
CID 118664050
Methyl 3-amino-5-[1-[6-(trifluoromethyl)pyridin-2-yl]indazol-6-yl]benzoate
CID 118664387
Methyl 6-(6-acetylpyridin-2-yl)-1-[6-(trifluoromethyl)pyridin-2-yl]indazole-4-carboxylate
CID 118664476
Methyl 6-iodo-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate
CID 118670636
ethyl 5-[5-fluoro-6-[[(3R)-piperidin-3-yl]amino]-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]pyridine-2-carboxylate
CID 124125743
Ethyl 4-[2-[methyl(oxan-4-yl)amino]pyrimidin-5-yl]-3-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-6-carboxylate
CID 126743677

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate;methyl 6-methyl-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate;methyl 6-methyl-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate (CID 159703035) is methyl 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate;methyl 6-methyl-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate;methyl 6-methyl-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate;methyl 6-methyl-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate is COC(=O)c1cc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)cc(C)n1.COC(=O)c1cc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)cc(N)n1.
What is the InChIKey of methyl 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate;methyl 6-methyl-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate?
The InChIKey is MXWFSAOISWEVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O2.C20H14F3N5O2/c1-12-8-15(9-16(26-12)20(29)30-2)13-6-7-14-11-25-28(17(14)10-13)19-5-3-4-18(27-19)21(22,23)24;1-30-19(29)14-7-13(9-17(24)26-14)11-5-6-12-10-25-28(15(12)8-11)18-4-2-3-16(27-18)20(21,22)23/h3-11H,1-2H3;2-10H,1H3,(H2,24,26).
What are the key properties of methyl 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate;methyl 6-methyl-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate?
methyl 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate;methyl 6-methyl-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate has a molecular weight of 825.73 g/mol, XLogP of 8.47, 6 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate;methyl 6-methyl-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate is sourced from PubChem (CID 159703035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).