6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylic acid

C19H12F3N5O2 — CID 118664679

IUPAC6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylic acid
SMILESNc1cncc(-c2cc(C(=O)O)c3cnn(-c4cccc(C(F)(F)F)n4)c3c2)c1
InChIInChI=1S/C19H12F3N5O2/c20-19(21,22)16-2-1-3-17(26-16)27-15-6-10(11-4-12(23)8-24-7-11)5-13(18(28)29)14(15)9-25-27/h1-9H,23H2,(H,28,29)
InChIKeyJUTLVZAVPOGUFK-UHFFFAOYSA-N
MW399.33 g/mol
LogP3.78
Rot. Bonds3

About 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylic acid

6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylic acid (PubChem CID 118664679) has the molecular formula C19H12F3N5O2 and a molecular weight of 399.33 g/mol. Its IUPAC name is 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylic acid.

Molecular Properties

Compound Name6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylic acid
PubChem CID118664679
Molecular FormulaC19H12F3N5O2
Molecular Weight399.33 g/mol
Exact Mass399.09
IUPAC Name6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylic acid
SMILESNc1cncc(-c2cc(C(=O)O)c3cnn(-c4cccc(C(F)(F)F)n4)c3c2)c1
InChIInChI=1S/C19H12F3N5O2/c20-19(21,22)16-2-1-3-17(26-16)27-15-6-10(11-4-12(23)8-24-7-11)5-13(18(28)29)14(15)9-25-27/h1-9H,23H2,(H,28,29)
InChIKeyJUTLVZAVPOGUFK-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-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylic acid?
The IUPAC name of 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylic acid (CID 118664679) is 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylic acid.
What is the SMILES notation for 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylic acid?
The canonical SMILES for 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylic acid is Nc1cncc(-c2cc(C(=O)O)c3cnn(-c4cccc(C(F)(F)F)n4)c3c2)c1.
What is the InChIKey of 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylic acid?
The InChIKey is JUTLVZAVPOGUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N5O2/c20-19(21,22)16-2-1-3-17(26-16)27-15-6-10(11-4-12(23)8-24-7-11)5-13(18(28)29)14(15)9-25-27/h1-9H,23H2,(H,28,29).
What are the key properties of 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylic acid?
6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-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-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxylic acid is sourced from PubChem (CID 118664679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).