3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[3-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxamide

C22H18F3N5O2 — CID 177283622

IUPAC3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[3-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxamide
SMILESCc1ccc2[nH]ncc2c1-c1cc(-c2cccc(OCC(F)(F)F)c2)nc(C(N)=O)c1N
InChIInChI=1S/C22H18F3N5O2/c1-11-5-6-16-15(9-28-30-16)18(11)14-8-17(29-20(19(14)26)21(27)31)12-3-2-4-13(7-12)32-10-22(23,24)25/h2-9H,10,26H2,1H3,(H2,27,31)(H,28,30)
InChIKeyAWTARMYMDVHFOT-UHFFFAOYSA-N
MW441.41 g/mol
LogP4.22
Rot. Bonds5

About 3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[3-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxamide

3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[3-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxamide (PubChem CID 177283622) has the molecular formula C22H18F3N5O2 and a molecular weight of 441.41 g/mol. Its IUPAC name is 3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[3-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[3-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxamide
PubChem CID177283622
Molecular FormulaC22H18F3N5O2
Molecular Weight441.41 g/mol
Exact Mass441.14
IUPAC Name3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[3-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxamide
SMILESCc1ccc2[nH]ncc2c1-c1cc(-c2cccc(OCC(F)(F)F)c2)nc(C(N)=O)c1N
InChIInChI=1S/C22H18F3N5O2/c1-11-5-6-16-15(9-28-30-16)18(11)14-8-17(29-20(19(14)26)21(27)31)12-3-2-4-13(7-12)32-10-22(23,24)25/h2-9H,10,26H2,1H3,(H2,27,31)(H,28,30)
InChIKeyAWTARMYMDVHFOT-UHFFFAOYSA-N
XLogP4.22
TPSA119.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.41
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[3-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[3-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[3-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxamide (CID 177283622) is 3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[3-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[3-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[3-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxamide is Cc1ccc2[nH]ncc2c1-c1cc(-c2cccc(OCC(F)(F)F)c2)nc(C(N)=O)c1N.
What is the InChIKey of 3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[3-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxamide?
The InChIKey is AWTARMYMDVHFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O2/c1-11-5-6-16-15(9-28-30-16)18(11)14-8-17(29-20(19(14)26)21(27)31)12-3-2-4-13(7-12)32-10-22(23,24)25/h2-9H,10,26H2,1H3,(H2,27,31)(H,28,30).
What are the key properties of 3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[3-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxamide?
3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[3-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxamide has a molecular weight of 441.41 g/mol, XLogP of 4.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(5-methyl-1H-indazol-4-yl)-6-[3-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 177283622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).