4-chloro-5-(5-chloropyrazin-2-yl)sulfanyl-2-methylindazole

C12H8Cl2N4S — CID 171782732

IUPAC4-chloro-5-(5-chloropyrazin-2-yl)sulfanyl-2-methylindazole
SMILESCn1cc2c(Cl)c(Sc3cnc(Cl)cn3)ccc2n1
InChIInChI=1S/C12H8Cl2N4S/c1-18-6-7-8(17-18)2-3-9(12(7)14)19-11-5-15-10(13)4-16-11/h2-6H,1H3
InChIKeyNYXOLCYSFALQCV-UHFFFAOYSA-N
MW311.20 g/mol
LogP3.82
Rot. Bonds2

About 4-chloro-5-(5-chloropyrazin-2-yl)sulfanyl-2-methylindazole

4-chloro-5-(5-chloropyrazin-2-yl)sulfanyl-2-methylindazole (PubChem CID 171782732) has the molecular formula C12H8Cl2N4S and a molecular weight of 311.20 g/mol. Its IUPAC name is 4-chloro-5-(5-chloropyrazin-2-yl)sulfanyl-2-methylindazole.

Molecular Properties

Compound Name4-chloro-5-(5-chloropyrazin-2-yl)sulfanyl-2-methylindazole
PubChem CID171782732
Molecular FormulaC12H8Cl2N4S
Molecular Weight311.20 g/mol
Exact Mass309.98
IUPAC Name4-chloro-5-(5-chloropyrazin-2-yl)sulfanyl-2-methylindazole
SMILESCn1cc2c(Cl)c(Sc3cnc(Cl)cn3)ccc2n1
InChIInChI=1S/C12H8Cl2N4S/c1-18-6-7-8(17-18)2-3-9(12(7)14)19-11-5-15-10(13)4-16-11/h2-6H,1H3
InChIKeyNYXOLCYSFALQCV-UHFFFAOYSA-N
XLogP3.82
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-[5-(4-chloro-2-methylindazol-5-yl)sulfanylpyrazin-2-yl]-3,9-diazaspiro[5.5]undecan-11-yl]carbamate
CID 171782723
8-chloro-7-(5-chloropyrazin-2-yl)sulfanylimidazo[1,2-a]pyridine
CID 165388008
3-[5-amino-9-[5-(4-chloro-2-methylindazol-5-yl)sulfanylpyrazin-2-yl]-3,9-diazaspiro[5.5]undecan-3-yl]-3-oxopropanenitrile
CID 171782781
5-(4-chloro-2-methylindazol-5-yl)sulfanyl-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one
CID 167215300
5-bromo-4-chloro-2-methylindazole;4-chloro-2-methylindazole-5-carbaldehyde
CID 167692123
4-(5-chloropyrazin-2-yl)sulfanylpyridin-3-amine
CID 142433853
5-chloro-4-(5-chloropyrazin-2-yl)sulfanylpyridin-2-amine
CID 142433860
2-chloro-5-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazine
CID 142433963
5-chloro-2-methylindazole-4-carboxylic acid
CID 105464530
2-methylindazol-4-amine
CID 15413170
2-[[3-chloro-7-(4-chloro-2-methylindazol-5-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane
CID 167589284
(1R,5S)-8-[12-(4-chloro-2-methylindazol-5-yl)-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 175930887

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(5-chloropyrazin-2-yl)sulfanyl-2-methylindazole?
The IUPAC name of 4-chloro-5-(5-chloropyrazin-2-yl)sulfanyl-2-methylindazole (CID 171782732) is 4-chloro-5-(5-chloropyrazin-2-yl)sulfanyl-2-methylindazole.
What is the SMILES notation for 4-chloro-5-(5-chloropyrazin-2-yl)sulfanyl-2-methylindazole?
The canonical SMILES for 4-chloro-5-(5-chloropyrazin-2-yl)sulfanyl-2-methylindazole is Cn1cc2c(Cl)c(Sc3cnc(Cl)cn3)ccc2n1.
What is the InChIKey of 4-chloro-5-(5-chloropyrazin-2-yl)sulfanyl-2-methylindazole?
The InChIKey is NYXOLCYSFALQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N4S/c1-18-6-7-8(17-18)2-3-9(12(7)14)19-11-5-15-10(13)4-16-11/h2-6H,1H3.
What are the key properties of 4-chloro-5-(5-chloropyrazin-2-yl)sulfanyl-2-methylindazole?
4-chloro-5-(5-chloropyrazin-2-yl)sulfanyl-2-methylindazole has a molecular weight of 311.20 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(5-chloropyrazin-2-yl)sulfanyl-2-methylindazole is sourced from PubChem (CID 171782732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).