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

C19H12F3N5O2 — CID 118663561

IUPAC6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylic acid
SMILESNc1cc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)cc(C(=O)O)n1
InChIInChI=1S/C19H12F3N5O2/c20-19(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/h1-9H,(H2,23,25)(H,28,29)
InChIKeyKVZFIBPFBLMYHT-UHFFFAOYSA-N
MW399.33 g/mol
LogP3.78
Rot. Bonds3

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

6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylic acid (PubChem CID 118663561) has the molecular formula C19H12F3N5O2 and a molecular weight of 399.33 g/mol. Its IUPAC name is 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylic acid
PubChem CID118663561
Molecular FormulaC19H12F3N5O2
Molecular Weight399.33 g/mol
Exact Mass399.09
IUPAC Name6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylic acid
SMILESNc1cc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)cc(C(=O)O)n1
InChIInChI=1S/C19H12F3N5O2/c20-19(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/h1-9H,(H2,23,25)(H,28,29)
InChIKeyKVZFIBPFBLMYHT-UHFFFAOYSA-N
XLogP3.78
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.33
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylic acid (CID 118663561) is 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylic acid is 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?
The InChIKey is KVZFIBPFBLMYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N5O2/c20-19(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/h1-9H,(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?
6-amino-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxylic acid has a molecular weight of 399.33 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 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 is sourced from PubChem (CID 118663561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).