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

C21H15F3N4O2 — CID 130231627

IUPACmethyl 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
InChIInChI=1S/C21H15F3N4O2/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/h3-11H,1-2H3
InChIKeyRQUXOEIGSZGNQE-UHFFFAOYSA-N
MW412.37 g/mol
LogP4.60
Rot. Bonds3

About methyl 6-methyl-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 130231627) has the molecular formula C21H15F3N4O2 and a molecular weight of 412.37 g/mol. Its IUPAC name is methyl 6-methyl-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate
PubChem CID130231627
Molecular FormulaC21H15F3N4O2
Molecular Weight412.37 g/mol
Exact Mass412.11
IUPAC Namemethyl 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
InChIInChI=1S/C21H15F3N4O2/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/h3-11H,1-2H3
InChIKeyRQUXOEIGSZGNQE-UHFFFAOYSA-N
XLogP4.60
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.37
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

Ethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate
CID 2998819
Ethyl 4-(3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)benzoate
CID 162663177
Methyl 5-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylpyrimido[1,2-b]indazol-8-yl]pyridine-2-carboxylate
CID 57378089
methyl 8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[(2R)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxylate
CID 89554960
methyl 8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxylate
CID 89554970
US10246456, Example 56
CID 118663927
US10246456, Example 85
CID 118664311
US10246456, Example 50
CID 118664470
US10246456, Example 51
CID 118664679
Ethyl 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 71601939
3-Cyclobutyl-4-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742549
US10246456, Example 213
CID 118663561

Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-methyl-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate (CID 130231627) is methyl 6-methyl-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-methyl-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate?
The canonical SMILES for 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.
What is the InChIKey of methyl 6-methyl-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate?
The InChIKey is RQUXOEIGSZGNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O2/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/h3-11H,1-2H3.
What are the key properties of methyl 6-methyl-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 412.37 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylate is sourced from PubChem (CID 130231627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).