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

C39H28F6N10O3 — CID 158272621

IUPAC[6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-yl]methanol;methyl 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.Nc1cncc(-c2cc(CO)c3cnn(-c4cccc(C(F)(F)F)n4)c3c2)c1
InChIInChI=1S/C20H14F3N5O2.C19H14F3N5O/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;20-19(21,22)17-2-1-3-18(26-17)27-16-6-11(12-5-14(23)8-24-7-12)4-13(10-28)15(16)9-25-27/h2-10H,24H2,1H3;1-9,28H,10,23H2
InChIKeyGJFMOOHOVJZROS-UHFFFAOYSA-N
MW798.71 g/mol
LogP7.45
Rot. Bonds6

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

[6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-yl]methanol;methyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate (PubChem CID 158272621) has the molecular formula C39H28F6N10O3 and a molecular weight of 798.71 g/mol. Its IUPAC name is [6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-yl]methanol;methyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate.

Molecular Properties

Compound Name[6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-yl]methanol;methyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate
PubChem CID158272621
Molecular FormulaC39H28F6N10O3
Molecular Weight798.71 g/mol
Exact Mass798.23
IUPAC Name[6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-yl]methanol;methyl 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.Nc1cncc(-c2cc(CO)c3cnn(-c4cccc(C(F)(F)F)n4)c3c2)c1
InChIInChI=1S/C20H14F3N5O2.C19H14F3N5O/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;20-19(21,22)17-2-1-3-18(26-17)27-16-6-11(12-5-14(23)8-24-7-12)4-13(10-28)15(16)9-25-27/h2-10H,24H2,1H3;1-9,28H,10,23H2
InChIKeyGJFMOOHOVJZROS-UHFFFAOYSA-N
XLogP7.45
TPSA185.77 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500798.71
LogP ≤ 57.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

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

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Related Compounds

US10246456, Example 56
CID 118663927
US10246456, Example 85
CID 118664311
US10246456, Example 50
CID 118664470
US10246456, Example 51
CID 118664679
methyl 6-(6-(1-aminoethyl)pyridin-2-yl)-1-(6-methylpyridin-2-yl)-1H-indazole-4-carboxylate
CID 118663616
US10246456, Example 49
CID 118663897
Methyl 6-[[[4,6-diamino-2-[6-fluoro-3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]-methoxycarbonylamino]methyl]naphthalene-2-carboxylate
CID 117899893
Methyl 3-[3-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]pyrazolo[4,3-b]pyridin-2-yl]benzoate
CID 118394034
Methyl 6-(5-aminopyridin-3-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]indazole-4-carboxylate
CID 118663843
Methyl 3-amino-5-[1-[6-(trifluoromethyl)pyridin-2-yl]indazol-6-yl]benzoate
CID 118664387
3-[3-[(4-Carboxypyridin-3-yl)amino]-5-methyl-1-propylindazol-6-yl]-5-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]amino]pyridine-4-carboxylic acid
CID 132127599
3-[3-[(4-Carboxypyridin-3-yl)amino]-5-fluoro-1-(oxan-3-yl)indazol-6-yl]-5-[[1-(4,4-difluorocyclohexyl)-5-fluoroindazol-3-yl]amino]pyridine-4-carboxylic acid
CID 132127692

Frequently Asked Questions

What is the IUPAC name of [6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-yl]methanol;methyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate?
The IUPAC name of [6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-yl]methanol;methyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate (CID 158272621) is [6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-yl]methanol;methyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate.
What is the SMILES notation for [6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-yl]methanol;methyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate?
The canonical SMILES for [6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-yl]methanol;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.Nc1cncc(-c2cc(CO)c3cnn(-c4cccc(C(F)(F)F)n4)c3c2)c1.
What is the InChIKey of [6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-yl]methanol;methyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate?
The InChIKey is GJFMOOHOVJZROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O2.C19H14F3N5O/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;20-19(21,22)17-2-1-3-18(26-17)27-16-6-11(12-5-14(23)8-24-7-12)4-13(10-28)15(16)9-25-27/h2-10H,24H2,1H3;1-9,28H,10,23H2.
What are the key properties of [6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-yl]methanol;methyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate?
[6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-yl]methanol;methyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate has a molecular weight of 798.71 g/mol, XLogP of 7.45, 6 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-yl]methanol;methyl 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylate is sourced from PubChem (CID 158272621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).