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

C39H26F6N10O4 — CID 158000261

IUPAC6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylic acid;methyl 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)cc(N)n1.Nc1cc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)cc(C(=O)O)n1
InChIInChI=1S/C20H14F3N5O2.C19H12F3N5O2/c1-30-19(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;20-19(21,22)15-2-1-3-17(26-15)27-14-7-10(4-5-11(14)9-24-27)12-6-13(18(28)29)25-16(23)8-12/h2-10H,1H3,(H2,24,26);1-9H,(H2,23,25)(H,28,29)
InChIKeyFDQNJLDUMWUBHJ-UHFFFAOYSA-N
MW812.69 g/mol
LogP7.65
Rot. Bonds6

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

6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylic acid;methyl 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate (PubChem CID 158000261) has the molecular formula C39H26F6N10O4 and a molecular weight of 812.69 g/mol. Its IUPAC name is 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylic acid;methyl 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Name6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylic acid;methyl 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate
PubChem CID158000261
Molecular FormulaC39H26F6N10O4
Molecular Weight812.69 g/mol
Exact Mass812.20
IUPAC Name6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylic acid;methyl 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)cc(N)n1.Nc1cc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)cc(C(=O)O)n1
InChIInChI=1S/C20H14F3N5O2.C19H12F3N5O2/c1-30-19(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;20-19(21,22)15-2-1-3-17(26-15)27-14-7-10(4-5-11(14)9-24-27)12-6-13(18(28)29)25-16(23)8-12/h2-10H,1H3,(H2,24,26);1-9H,(H2,23,25)(H,28,29)
InChIKeyFDQNJLDUMWUBHJ-UHFFFAOYSA-N
XLogP7.65
TPSA202.84 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500812.69
LogP ≤ 57.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylic acid;methyl 6-amino-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 85
CID 118664311
US10246456, Example 213
CID 118663561
US10246456, Example 243
CID 118663733
US10577367, Example 472
CID 118664101
Methyl 4-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]pyridine-2-carboxylate;4-[2-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]pyridine-2-carboxylic acid
CID 87301789
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-iodo-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate
CID 118670636
3-Methyl-4-(6-morpholin-4-ylpyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-6-carboxylic acid
CID 126743095
Methyl 6-methyl-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate
CID 130231627

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylic acid;methyl 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate?
The IUPAC name of 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylic acid;methyl 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate (CID 158000261) is 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylic acid;methyl 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate.
What is the SMILES notation for 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylic acid;methyl 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate?
The canonical SMILES for 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylic acid;methyl 6-amino-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(N)n1.Nc1cc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)cc(C(=O)O)n1.
What is the InChIKey of 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylic acid;methyl 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate?
The InChIKey is FDQNJLDUMWUBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O2.C19H12F3N5O2/c1-30-19(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;20-19(21,22)15-2-1-3-17(26-15)27-14-7-10(4-5-11(14)9-24-27)12-6-13(18(28)29)25-16(23)8-12/h2-10H,1H3,(H2,24,26);1-9H,(H2,23,25)(H,28,29).
What are the key properties of 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylic acid;methyl 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate?
6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylic acid;methyl 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate has a molecular weight of 812.69 g/mol, XLogP of 7.65, 6 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylic acid;methyl 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate is sourced from PubChem (CID 158000261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).