N-(4-chloro-1H-indazol-5-yl)-3-methylsulfanylpyrazine-2-carboxamide

C13H10ClN5OS — CID 167744320

IUPACN-(4-chloro-1H-indazol-5-yl)-3-methylsulfanylpyrazine-2-carboxamide
SMILESCSc1nccnc1C(=O)Nc1ccc2[nH]ncc2c1Cl
InChIInChI=1S/C13H10ClN5OS/c1-21-13-11(15-4-5-16-13)12(20)18-9-3-2-8-7(10(9)14)6-17-19-8/h2-6H,1H3,(H,17,19)(H,18,20)
InChIKeyLUFYAJCSAVIQFH-UHFFFAOYSA-N
MW319.78 g/mol
LogP2.98
Rot. Bonds3

About N-(4-chloro-1H-indazol-5-yl)-3-methylsulfanylpyrazine-2-carboxamide

N-(4-chloro-1H-indazol-5-yl)-3-methylsulfanylpyrazine-2-carboxamide (PubChem CID 167744320) has the molecular formula C13H10ClN5OS and a molecular weight of 319.78 g/mol. Its IUPAC name is N-(4-chloro-1H-indazol-5-yl)-3-methylsulfanylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-1H-indazol-5-yl)-3-methylsulfanylpyrazine-2-carboxamide
PubChem CID167744320
Molecular FormulaC13H10ClN5OS
Molecular Weight319.78 g/mol
Exact Mass319.03
IUPAC NameN-(4-chloro-1H-indazol-5-yl)-3-methylsulfanylpyrazine-2-carboxamide
SMILESCSc1nccnc1C(=O)Nc1ccc2[nH]ncc2c1Cl
InChIInChI=1S/C13H10ClN5OS/c1-21-13-11(15-4-5-16-13)12(20)18-9-3-2-8-7(10(9)14)6-17-19-8/h2-6H,1H3,(H,17,19)(H,18,20)
InChIKeyLUFYAJCSAVIQFH-UHFFFAOYSA-N
XLogP2.98
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.78
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetamido-N-(4-chloro-1H-indazol-5-yl)pyridine-2-carboxamide
CID 167970294
2-chloro-N-(4-chloro-1H-indazol-5-yl)pyridine-3-carboxamide
CID 167754132
N-(4-chloro-1H-indazol-5-yl)-2-(dimethylamino)pyridine-4-carboxamide
CID 167812323
N-(4-chloro-1H-indazol-5-yl)-2-(2-methoxyethoxy)pyridine-3-carboxamide
CID 166365276
N-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-2-pyridinyl]-4-fluorobenzamide
CID 122522628
2-[(4-chloro-1H-indazol-5-yl)sulfamoyl]-N,N-dimethylpyridine-3-carboxamide
CID 166365288
N-(4-chloro-1H-indazol-5-yl)-2-methoxyethanesulfonamide
CID 138046747
N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1,3-oxazol-2-yl)phenyl]acetamide
CID 134398901
N-(4-chloro-1H-indazol-5-yl)-3-(2H-tetrazol-5-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 167899812
N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-2-methoxypyrimidine-5-carboxamide
CID 122522623
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-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(hydroxymethyl)phenyl]acetamide
CID 122522580

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1H-indazol-5-yl)-3-methylsulfanylpyrazine-2-carboxamide?
The IUPAC name of N-(4-chloro-1H-indazol-5-yl)-3-methylsulfanylpyrazine-2-carboxamide (CID 167744320) is N-(4-chloro-1H-indazol-5-yl)-3-methylsulfanylpyrazine-2-carboxamide.
What is the SMILES notation for N-(4-chloro-1H-indazol-5-yl)-3-methylsulfanylpyrazine-2-carboxamide?
The canonical SMILES for N-(4-chloro-1H-indazol-5-yl)-3-methylsulfanylpyrazine-2-carboxamide is CSc1nccnc1C(=O)Nc1ccc2[nH]ncc2c1Cl.
What is the InChIKey of N-(4-chloro-1H-indazol-5-yl)-3-methylsulfanylpyrazine-2-carboxamide?
The InChIKey is LUFYAJCSAVIQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5OS/c1-21-13-11(15-4-5-16-13)12(20)18-9-3-2-8-7(10(9)14)6-17-19-8/h2-6H,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(4-chloro-1H-indazol-5-yl)-3-methylsulfanylpyrazine-2-carboxamide?
N-(4-chloro-1H-indazol-5-yl)-3-methylsulfanylpyrazine-2-carboxamide has a molecular weight of 319.78 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1H-indazol-5-yl)-3-methylsulfanylpyrazine-2-carboxamide is sourced from PubChem (CID 167744320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).