N-[2-(2-hydroxyethyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C19H19F3N4O3 — CID 121364970

IUPACN-[2-(2-hydroxyethyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)c1cc2nn(CCO)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H19F3N4O3/c1-18(2,29)12-9-14-11(10-26(25-14)6-7-27)8-15(12)24-17(28)13-4-3-5-16(23-13)19(20,21)22/h3-5,8-10,27,29H,6-7H2,1-2H3,(H,24,28)
InChIKeyWZNSJHMKGMYSPA-UHFFFAOYSA-N
MW408.38 g/mol
LogP2.92
Rot. Bonds5

About N-[2-(2-hydroxyethyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-(2-hydroxyethyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 121364970) has the molecular formula C19H19F3N4O3 and a molecular weight of 408.38 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID121364970
Molecular FormulaC19H19F3N4O3
Molecular Weight408.38 g/mol
Exact Mass408.14
IUPAC NameN-[2-(2-hydroxyethyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)c1cc2nn(CCO)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H19F3N4O3/c1-18(2,29)12-9-14-11(10-26(25-14)6-7-27)8-15(12)24-17(28)13-4-3-5-16(23-13)19(20,21)22/h3-5,8-10,27,29H,6-7H2,1-2H3,(H,24,28)
InChIKeyWZNSJHMKGMYSPA-UHFFFAOYSA-N
XLogP2.92
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-(2-hydroxyethyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)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 N-[2-(2-hydroxyethyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 121364970) is N-[2-(2-hydroxyethyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC(C)(O)c1cc2nn(CCO)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-(2-hydroxyethyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is WZNSJHMKGMYSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O3/c1-18(2,29)12-9-14-11(10-26(25-14)6-7-27)8-15(12)24-17(28)13-4-3-5-16(23-13)19(20,21)22/h3-5,8-10,27,29H,6-7H2,1-2H3,(H,24,28).
What are the key properties of N-[2-(2-hydroxyethyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-(2-hydroxyethyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 408.38 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 121364970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).