N-[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C20H18F3N5O4S — CID 118182615

IUPACN-[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2nn(CC(=O)N3CCS(=O)(=O)CC3)cc2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C20H18F3N5O4S/c21-20(22,23)17-3-1-2-16(25-17)19(30)24-14-4-5-15-13(10-14)11-28(26-15)12-18(29)27-6-8-33(31,32)9-7-27/h1-5,10-11H,6-9,12H2,(H,24,30)
InChIKeyYEZBVMPXVWSALL-UHFFFAOYSA-N
MW481.46 g/mol
LogP1.96
Rot. Bonds4

About N-[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118182615) has the molecular formula C20H18F3N5O4S and a molecular weight of 481.46 g/mol. Its IUPAC name is N-[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118182615
Molecular FormulaC20H18F3N5O4S
Molecular Weight481.46 g/mol
Exact Mass481.10
IUPAC NameN-[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2nn(CC(=O)N3CCS(=O)(=O)CC3)cc2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C20H18F3N5O4S/c21-20(22,23)17-3-1-2-16(25-17)19(30)24-14-4-5-15-13(10-14)11-28(26-15)12-18(29)27-6-8-33(31,32)9-7-27/h1-5,10-11H,6-9,12H2,(H,24,30)
InChIKeyYEZBVMPXVWSALL-UHFFFAOYSA-N
XLogP1.96
TPSA114.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.46
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118182615) is N-[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1ccc2nn(CC(=O)N3CCS(=O)(=O)CC3)cc2c1)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is YEZBVMPXVWSALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O4S/c21-20(22,23)17-3-1-2-16(25-17)19(30)24-14-4-5-15-13(10-14)11-28(26-15)12-18(29)27-6-8-33(31,32)9-7-27/h1-5,10-11H,6-9,12H2,(H,24,30).
What are the key properties of N-[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 481.46 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118182615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).