3-[5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-1-methyl-2-oxo-3-pyridinyl]-1,3-oxazolidin-2-one;2,2,2-trifluoroacetic acid

C20H15ClF3N7O5S — CID 162334005

IUPAC3-[5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-1-methyl-2-oxo-3-pyridinyl]-1,3-oxazolidin-2-one;2,2,2-trifluoroacetic acid
SMILESCn1cc(-c2nsc(Nc3ccc4[nH]ncc4c3Cl)n2)cc(N2CCOC2=O)c1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C18H14ClN7O3S.C2HF3O2/c1-25-8-9(6-13(16(25)27)26-4-5-29-18(26)28)15-22-17(30-24-15)21-12-3-2-11-10(14(12)19)7-20-23-11;3-2(4,5)1(6)7/h2-3,6-8H,4-5H2,1H3,(H,20,23)(H,21,22,24);(H,6,7)
InChIKeyJOHWKBBTXUIURX-UHFFFAOYSA-N
MW557.90 g/mol
LogP3.77
Rot. Bonds4

About 3-[5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-1-methyl-2-oxo-3-pyridinyl]-1,3-oxazolidin-2-one;2,2,2-trifluoroacetic acid

3-[5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-1-methyl-2-oxo-3-pyridinyl]-1,3-oxazolidin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 162334005) has the molecular formula C20H15ClF3N7O5S and a molecular weight of 557.90 g/mol. Its IUPAC name is 3-[5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-1-methyl-2-oxo-3-pyridinyl]-1,3-oxazolidin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-[5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-1-methyl-2-oxo-3-pyridinyl]-1,3-oxazolidin-2-one;2,2,2-trifluoroacetic acid
PubChem CID162334005
Molecular FormulaC20H15ClF3N7O5S
Molecular Weight557.90 g/mol
Exact Mass557.05
IUPAC Name3-[5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-1-methyl-2-oxo-3-pyridinyl]-1,3-oxazolidin-2-one;2,2,2-trifluoroacetic acid
SMILESCn1cc(-c2nsc(Nc3ccc4[nH]ncc4c3Cl)n2)cc(N2CCOC2=O)c1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C18H14ClN7O3S.C2HF3O2/c1-25-8-9(6-13(16(25)27)26-4-5-29-18(26)28)15-22-17(30-24-15)21-12-3-2-11-10(14(12)19)7-20-23-11;3-2(4,5)1(6)7/h2-3,6-8H,4-5H2,1H3,(H,20,23)(H,21,22,24);(H,6,7)
InChIKeyJOHWKBBTXUIURX-UHFFFAOYSA-N
XLogP3.77
TPSA155.33 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.90
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 3-[5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-1-methyl-2-oxo-3-pyridinyl]-1,3-oxazolidin-2-one;2,2,2-trifluoroacetic acid 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-[5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-1-methyl-2-oxo-3-pyridinyl]-1,3-oxazolidin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-[5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-1-methyl-2-oxo-3-pyridinyl]-1,3-oxazolidin-2-one;2,2,2-trifluoroacetic acid (CID 162334005) is 3-[5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-1-methyl-2-oxo-3-pyridinyl]-1,3-oxazolidin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-[5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-1-methyl-2-oxo-3-pyridinyl]-1,3-oxazolidin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-[5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-1-methyl-2-oxo-3-pyridinyl]-1,3-oxazolidin-2-one;2,2,2-trifluoroacetic acid is Cn1cc(-c2nsc(Nc3ccc4[nH]ncc4c3Cl)n2)cc(N2CCOC2=O)c1=O.O=C(O)C(F)(F)F.
What is the InChIKey of 3-[5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-1-methyl-2-oxo-3-pyridinyl]-1,3-oxazolidin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is JOHWKBBTXUIURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN7O3S.C2HF3O2/c1-25-8-9(6-13(16(25)27)26-4-5-29-18(26)28)15-22-17(30-24-15)21-12-3-2-11-10(14(12)19)7-20-23-11;3-2(4,5)1(6)7/h2-3,6-8H,4-5H2,1H3,(H,20,23)(H,21,22,24);(H,6,7).
What are the key properties of 3-[5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-1-methyl-2-oxo-3-pyridinyl]-1,3-oxazolidin-2-one;2,2,2-trifluoroacetic acid?
3-[5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-1-methyl-2-oxo-3-pyridinyl]-1,3-oxazolidin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 557.90 g/mol, XLogP of 3.77, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-1-methyl-2-oxo-3-pyridinyl]-1,3-oxazolidin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162334005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).