1-[5-(4-chloro-2-methylindazol-5-yl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-amine

C18H21ClN6S — CID 166465075

IUPAC1-[5-(4-chloro-2-methylindazol-5-yl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-amine
SMILESCn1cc2c(Cl)c(Sc3cnc(N4CCC(C)(N)CC4)cn3)ccc2n1
InChIInChI=1S/C18H21ClN6S/c1-18(20)5-7-25(8-6-18)15-9-22-16(10-21-15)26-14-4-3-13-12(17(14)19)11-24(2)23-13/h3-4,9-11H,5-8,20H2,1-2H3
InChIKeyQVWHBXBCYUXIRV-UHFFFAOYSA-N
MW388.93 g/mol
LogP3.49
Rot. Bonds3

About 1-[5-(4-chloro-2-methylindazol-5-yl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-amine

1-[5-(4-chloro-2-methylindazol-5-yl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-amine (PubChem CID 166465075) has the molecular formula C18H21ClN6S and a molecular weight of 388.93 g/mol. Its IUPAC name is 1-[5-(4-chloro-2-methylindazol-5-yl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[5-(4-chloro-2-methylindazol-5-yl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-amine
PubChem CID166465075
Molecular FormulaC18H21ClN6S
Molecular Weight388.93 g/mol
Exact Mass388.12
IUPAC Name1-[5-(4-chloro-2-methylindazol-5-yl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-amine
SMILESCn1cc2c(Cl)c(Sc3cnc(N4CCC(C)(N)CC4)cn3)ccc2n1
InChIInChI=1S/C18H21ClN6S/c1-18(20)5-7-25(8-6-18)15-9-22-16(10-21-15)26-14-4-3-13-12(17(14)19)11-24(2)23-13/h3-4,9-11H,5-8,20H2,1-2H3
InChIKeyQVWHBXBCYUXIRV-UHFFFAOYSA-N
XLogP3.49
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.93
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chloro-2-methylindazol-5-yl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-amine?
The IUPAC name of 1-[5-(4-chloro-2-methylindazol-5-yl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-amine (CID 166465075) is 1-[5-(4-chloro-2-methylindazol-5-yl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-amine.
What is the SMILES notation for 1-[5-(4-chloro-2-methylindazol-5-yl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-amine?
The canonical SMILES for 1-[5-(4-chloro-2-methylindazol-5-yl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-amine is Cn1cc2c(Cl)c(Sc3cnc(N4CCC(C)(N)CC4)cn3)ccc2n1.
What is the InChIKey of 1-[5-(4-chloro-2-methylindazol-5-yl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-amine?
The InChIKey is QVWHBXBCYUXIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN6S/c1-18(20)5-7-25(8-6-18)15-9-22-16(10-21-15)26-14-4-3-13-12(17(14)19)11-24(2)23-13/h3-4,9-11H,5-8,20H2,1-2H3.
What are the key properties of 1-[5-(4-chloro-2-methylindazol-5-yl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-amine?
1-[5-(4-chloro-2-methylindazol-5-yl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-amine has a molecular weight of 388.93 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chloro-2-methylindazol-5-yl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-amine is sourced from PubChem (CID 166465075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).