4-chloro-2-methyl-5-[5-(4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylindazole

C18H20ClN5S — CID 171483712

IUPAC4-chloro-2-methyl-5-[5-(4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylindazole
SMILESCC1CCN(c2cnc(Sc3ccc4nn(C)cc4c3Cl)cn2)CC1
InChIInChI=1S/C18H20ClN5S/c1-12-5-7-24(8-6-12)16-9-21-17(10-20-16)25-15-4-3-14-13(18(15)19)11-23(2)22-14/h3-4,9-12H,5-8H2,1-2H3
InChIKeyAMJGNVKQWAVBCY-UHFFFAOYSA-N
MW373.91 g/mol
LogP4.40
Rot. Bonds3

About 4-chloro-2-methyl-5-[5-(4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylindazole

4-chloro-2-methyl-5-[5-(4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylindazole (PubChem CID 171483712) has the molecular formula C18H20ClN5S and a molecular weight of 373.91 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[5-(4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylindazole.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[5-(4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylindazole
PubChem CID171483712
Molecular FormulaC18H20ClN5S
Molecular Weight373.91 g/mol
Exact Mass373.11
IUPAC Name4-chloro-2-methyl-5-[5-(4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylindazole
SMILESCC1CCN(c2cnc(Sc3ccc4nn(C)cc4c3Cl)cn2)CC1
InChIInChI=1S/C18H20ClN5S/c1-12-5-7-24(8-6-12)16-9-21-17(10-20-16)25-15-4-3-14-13(18(15)19)11-23(2)22-14/h3-4,9-12H,5-8H2,1-2H3
InChIKeyAMJGNVKQWAVBCY-UHFFFAOYSA-N
XLogP4.40
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-[5-(4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylindazole?
The IUPAC name of 4-chloro-2-methyl-5-[5-(4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylindazole (CID 171483712) is 4-chloro-2-methyl-5-[5-(4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylindazole.
What is the SMILES notation for 4-chloro-2-methyl-5-[5-(4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylindazole?
The canonical SMILES for 4-chloro-2-methyl-5-[5-(4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylindazole is CC1CCN(c2cnc(Sc3ccc4nn(C)cc4c3Cl)cn2)CC1.
What is the InChIKey of 4-chloro-2-methyl-5-[5-(4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylindazole?
The InChIKey is AMJGNVKQWAVBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5S/c1-12-5-7-24(8-6-12)16-9-21-17(10-20-16)25-15-4-3-14-13(18(15)19)11-23(2)22-14/h3-4,9-12H,5-8H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-5-[5-(4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylindazole?
4-chloro-2-methyl-5-[5-(4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylindazole has a molecular weight of 373.91 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-[5-(4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanylindazole is sourced from PubChem (CID 171483712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).