5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrol-3-yl)sulfanyl-6-phenylpyrazin-2-amine

C22H17ClN6S — CID 137430823

IUPAC5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrol-3-yl)sulfanyl-6-phenylpyrazin-2-amine
SMILESCn1ccc(Sc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)c1
InChIInChI=1S/C22H17ClN6S/c1-29-8-7-16(12-29)30-22-21(24)26-19(13-5-3-2-4-6-13)20(27-22)14-9-15-11-25-28-18(15)17(23)10-14/h2-12H,1H3,(H2,24,26)(H,25,28)
InChIKeyWEFYBBFJZJKUGS-UHFFFAOYSA-N
MW432.94 g/mol
LogP5.41
Rot. Bonds4

About 5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrol-3-yl)sulfanyl-6-phenylpyrazin-2-amine

5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrol-3-yl)sulfanyl-6-phenylpyrazin-2-amine (PubChem CID 137430823) has the molecular formula C22H17ClN6S and a molecular weight of 432.94 g/mol. Its IUPAC name is 5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrol-3-yl)sulfanyl-6-phenylpyrazin-2-amine.

Molecular Properties

Compound Name5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrol-3-yl)sulfanyl-6-phenylpyrazin-2-amine
PubChem CID137430823
Molecular FormulaC22H17ClN6S
Molecular Weight432.94 g/mol
Exact Mass432.09
IUPAC Name5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrol-3-yl)sulfanyl-6-phenylpyrazin-2-amine
SMILESCn1ccc(Sc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)c1
InChIInChI=1S/C22H17ClN6S/c1-29-8-7-16(12-29)30-22-21(24)26-19(13-5-3-2-4-6-13)20(27-22)14-9-15-11-25-28-18(15)17(23)10-14/h2-12H,1H3,(H2,24,26)(H,25,28)
InChIKeyWEFYBBFJZJKUGS-UHFFFAOYSA-N
XLogP5.41
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.94
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
CID 137423687
5-(7-chloro-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine
CID 137423776
2-[(3-chloro-4-fluorophenyl)methylsulfanyl]-9-(1H-indazol-6-yl)purine
CID 67408429
8-(7-chloro-1H-indazol-5-yl)-7-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 134450164
5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine
CID 137430589
5-(7-chloro-1H-indazol-5-yl)-3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyrazin-2-amine
CID 137430659
5-(7-chloro-3-methyl-2H-indazol-5-yl)-6-(4-fluorophenyl)pyrazin-2-amine
CID 137430829
5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethylsulfanyl]pyrazin-2-amine
CID 137430839
5-(7-chloro-1H-indazol-5-yl)-3-fluoro-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
CID 137430872
5-(8-Chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethylsulfanyl]pyrazin-2-amine
CID 137431273
5-(8-Chloroquinolin-6-yl)-3-[(4-fluorophenyl)methylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
CID 137431275
5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine
CID 137431341

Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrol-3-yl)sulfanyl-6-phenylpyrazin-2-amine?
The IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrol-3-yl)sulfanyl-6-phenylpyrazin-2-amine (CID 137430823) is 5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrol-3-yl)sulfanyl-6-phenylpyrazin-2-amine.
What is the SMILES notation for 5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrol-3-yl)sulfanyl-6-phenylpyrazin-2-amine?
The canonical SMILES for 5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrol-3-yl)sulfanyl-6-phenylpyrazin-2-amine is Cn1ccc(Sc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)c1.
What is the InChIKey of 5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrol-3-yl)sulfanyl-6-phenylpyrazin-2-amine?
The InChIKey is WEFYBBFJZJKUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN6S/c1-29-8-7-16(12-29)30-22-21(24)26-19(13-5-3-2-4-6-13)20(27-22)14-9-15-11-25-28-18(15)17(23)10-14/h2-12H,1H3,(H2,24,26)(H,25,28).
What are the key properties of 5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrol-3-yl)sulfanyl-6-phenylpyrazin-2-amine?
5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrol-3-yl)sulfanyl-6-phenylpyrazin-2-amine has a molecular weight of 432.94 g/mol, XLogP of 5.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrol-3-yl)sulfanyl-6-phenylpyrazin-2-amine is sourced from PubChem (CID 137430823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).