5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide

C17H14ClN7O2S — CID 139481550

IUPAC5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(-c2nsc(Nc3ccc4[nH]ncc4c3Cl)n2)cn(C)c1=O
InChIInChI=1S/C17H14ClN7O2S/c1-19-15(26)9-5-8(7-25(2)16(9)27)14-22-17(28-24-14)21-12-4-3-11-10(13(12)18)6-20-23-11/h3-7H,1-2H3,(H,19,26)(H,20,23)(H,21,22,24)
InChIKeyIPYZZKAIDZFGOR-UHFFFAOYSA-N
MW415.87 g/mol
LogP2.54
Rot. Bonds4

About 5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide

5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide (PubChem CID 139481550) has the molecular formula C17H14ClN7O2S and a molecular weight of 415.87 g/mol. Its IUPAC name is 5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide
PubChem CID139481550
Molecular FormulaC17H14ClN7O2S
Molecular Weight415.87 g/mol
Exact Mass415.06
IUPAC Name5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(-c2nsc(Nc3ccc4[nH]ncc4c3Cl)n2)cn(C)c1=O
InChIInChI=1S/C17H14ClN7O2S/c1-19-15(26)9-5-8(7-25(2)16(9)27)14-22-17(28-24-14)21-12-4-3-11-10(13(12)18)6-20-23-11/h3-7H,1-2H3,(H,19,26)(H,20,23)(H,21,22,24)
InChIKeyIPYZZKAIDZFGOR-UHFFFAOYSA-N
XLogP2.54
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.87
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-1-methyl-2-oxopyridine-3-carboxylic acid
CID 139481585
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
methyl 3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]benzoate
CID 134284996
[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 139481865
5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-2-fluoro-N-propan-2-ylbenzamide;2,2,2-trifluoroacetic acid
CID 159374831
N-[5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-1-methyl-2-oxo-3-pyridinyl]acetamide
CID 122507541
N-(4-chloro-1H-indazol-5-yl)-3-[3-(3-methyl-2H-imidazol-1-yl)phenyl]-1,2,4-thiadiazol-5-amine
CID 139465287
2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-2-pyridinyl]-1,5-dimethylpyrazol-3-one;2,2,2-trifluoroacetic acid
CID 162336457
N-(4-chloro-1H-indazol-5-yl)-3-(3-methylsulfonylphenyl)-1,2,4-thiadiazol-5-amine;2,2,2-trifluoroacetic acid
CID 157412780
2-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide
CID 139481726
2-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]phenyl]-1-(3-methyltriazol-4-yl)ethanone;2,2,2-trifluoroacetic acid
CID 162248037
N-(4-chloro-1H-indazol-5-yl)-3-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-1,2,4-thiadiazol-5-amine;2,2,2-trifluoroacetic acid
CID 162330799

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide (CID 139481550) is 5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide is CNC(=O)c1cc(-c2nsc(Nc3ccc4[nH]ncc4c3Cl)n2)cn(C)c1=O.
What is the InChIKey of 5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide?
The InChIKey is IPYZZKAIDZFGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN7O2S/c1-19-15(26)9-5-8(7-25(2)16(9)27)14-22-17(28-24-14)21-12-4-3-11-10(13(12)18)6-20-23-11/h3-7H,1-2H3,(H,19,26)(H,20,23)(H,21,22,24).
What are the key properties of 5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide?
5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 415.87 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 139481550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).