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

C21H24F3N5O4S — CID 162647600

IUPACN-[2-[2-(ethylsulfonylamino)ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCS(=O)(=O)NCCn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(C)(C)O)cc2n1
InChIInChI=1S/C21H24F3N5O4S/c1-4-34(32,33)25-8-9-29-12-13-10-17(14(20(2,3)31)11-16(13)28-29)27-19(30)15-6-5-7-18(26-15)21(22,23)24/h5-7,10-12,25,31H,4,8-9H2,1-3H3,(H,27,30)
InChIKeyLAVNOBGASVIHAV-UHFFFAOYSA-N
MW499.52 g/mol
LogP2.87
Rot. Bonds8

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

N-[2-[2-(ethylsulfonylamino)ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 162647600) has the molecular formula C21H24F3N5O4S and a molecular weight of 499.52 g/mol. Its IUPAC name is N-[2-[2-(ethylsulfonylamino)ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(ethylsulfonylamino)ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID162647600
Molecular FormulaC21H24F3N5O4S
Molecular Weight499.52 g/mol
Exact Mass499.15
IUPAC NameN-[2-[2-(ethylsulfonylamino)ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCS(=O)(=O)NCCn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(C)(C)O)cc2n1
InChIInChI=1S/C21H24F3N5O4S/c1-4-34(32,33)25-8-9-29-12-13-10-17(14(20(2,3)31)11-16(13)28-29)27-19(30)15-6-5-7-18(26-15)21(22,23)24/h5-7,10-12,25,31H,4,8-9H2,1-3H3,(H,27,30)
InChIKeyLAVNOBGASVIHAV-UHFFFAOYSA-N
XLogP2.87
TPSA126.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.52
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(ethylsulfonylamino)ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-(ethylsulfonylamino)ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 162647600) is N-[2-[2-(ethylsulfonylamino)ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-(ethylsulfonylamino)ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-(ethylsulfonylamino)ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CCS(=O)(=O)NCCn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(C)(C)O)cc2n1.
What is the InChIKey of N-[2-[2-(ethylsulfonylamino)ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is LAVNOBGASVIHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5O4S/c1-4-34(32,33)25-8-9-29-12-13-10-17(14(20(2,3)31)11-16(13)28-29)27-19(30)15-6-5-7-18(26-15)21(22,23)24/h5-7,10-12,25,31H,4,8-9H2,1-3H3,(H,27,30).
What are the key properties of N-[2-[2-(ethylsulfonylamino)ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[2-(ethylsulfonylamino)ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 499.52 g/mol, XLogP of 2.87, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(ethylsulfonylamino)ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 162647600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).