7-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine

C18H21Cl2N5S — CID 118247734

IUPAC7-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine
SMILESNc1nc(N2CCC3(CCC3N)CC2)cnc1Sc1cccc(Cl)c1Cl
InChIInChI=1S/C18H21Cl2N5S/c19-11-2-1-3-12(15(11)20)26-17-16(22)24-14(10-23-17)25-8-6-18(7-9-25)5-4-13(18)21/h1-3,10,13H,4-9,21H2,(H2,22,24)
InChIKeyQBGAGJLZTQGJON-UHFFFAOYSA-N
MW410.37 g/mol
LogP4.22
Rot. Bonds3

About 7-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine

7-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine (PubChem CID 118247734) has the molecular formula C18H21Cl2N5S and a molecular weight of 410.37 g/mol. Its IUPAC name is 7-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine.

Molecular Properties

Compound Name7-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine
PubChem CID118247734
Molecular FormulaC18H21Cl2N5S
Molecular Weight410.37 g/mol
Exact Mass409.09
IUPAC Name7-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine
SMILESNc1nc(N2CCC3(CCC3N)CC2)cnc1Sc1cccc(Cl)c1Cl
InChIInChI=1S/C18H21Cl2N5S/c19-11-2-1-3-12(15(11)20)26-17-16(22)24-14(10-23-17)25-8-6-18(7-9-25)5-4-13(18)21/h1-3,10,13H,4-9,21H2,(H2,22,24)
InChIKeyQBGAGJLZTQGJON-UHFFFAOYSA-N
XLogP4.22
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.37
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine?
The IUPAC name of 7-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine (CID 118247734) is 7-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine.
What is the SMILES notation for 7-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine?
The canonical SMILES for 7-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine is Nc1nc(N2CCC3(CCC3N)CC2)cnc1Sc1cccc(Cl)c1Cl.
What is the InChIKey of 7-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine?
The InChIKey is QBGAGJLZTQGJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N5S/c19-11-2-1-3-12(15(11)20)26-17-16(22)24-14(10-23-17)25-8-6-18(7-9-25)5-4-13(18)21/h1-3,10,13H,4-9,21H2,(H2,22,24).
What are the key properties of 7-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine?
7-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine has a molecular weight of 410.37 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine is sourced from PubChem (CID 118247734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).