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

C19H13F3N6O — CID 118663717

IUPAC6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide
SMILESNC(=O)c1cc(-c2cncc(N)c2)cc2c1cnn2-c1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H13F3N6O/c20-19(21,22)16-2-1-3-17(27-16)28-15-6-10(11-4-12(23)8-25-7-11)5-13(18(24)29)14(15)9-26-28/h1-9H,23H2,(H2,24,29)
InChIKeyNLOKHJYRGMAACO-UHFFFAOYSA-N
MW398.35 g/mol
LogP3.18
Rot. Bonds3

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

6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide (PubChem CID 118663717) has the molecular formula C19H13F3N6O and a molecular weight of 398.35 g/mol. Its IUPAC name is 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide.

Molecular Properties

Compound Name6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide
PubChem CID118663717
Molecular FormulaC19H13F3N6O
Molecular Weight398.35 g/mol
Exact Mass398.11
IUPAC Name6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide
SMILESNC(=O)c1cc(-c2cncc(N)c2)cc2c1cnn2-c1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H13F3N6O/c20-19(21,22)16-2-1-3-17(27-16)28-15-6-10(11-4-12(23)8-25-7-11)5-13(18(24)29)14(15)9-26-28/h1-9H,23H2,(H2,24,29)
InChIKeyNLOKHJYRGMAACO-UHFFFAOYSA-N
XLogP3.18
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.35
LogP ≤ 53.18
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-carboxamide?
The IUPAC name of 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide (CID 118663717) is 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide.
What is the SMILES notation for 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide?
The canonical SMILES for 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide is NC(=O)c1cc(-c2cncc(N)c2)cc2c1cnn2-c1cccc(C(F)(F)F)n1.
What is the InChIKey of 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide?
The InChIKey is NLOKHJYRGMAACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N6O/c20-19(21,22)16-2-1-3-17(27-16)28-15-6-10(11-4-12(23)8-25-7-11)5-13(18(24)29)14(15)9-26-28/h1-9H,23H2,(H2,24,29).
What are the key properties of 6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide?
6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide has a molecular weight of 398.35 g/mol, XLogP of 3.18, 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-carboxamide is sourced from PubChem (CID 118663717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).