8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine

C19H25ClN6S — CID 123920773

IUPAC8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
SMILESNc1cccc(Sc2ncc(N3CCC4(CCCC4N)CC3)nc2N)c1Cl
InChIInChI=1S/C19H25ClN6S/c20-16-12(21)3-1-4-13(16)27-18-17(23)25-15(11-24-18)26-9-7-19(8-10-26)6-2-5-14(19)22/h1,3-4,11,14H,2,5-10,21-22H2,(H2,23,25)
InChIKeyRYQKNCCCQCKZDS-UHFFFAOYSA-N
MW404.97 g/mol
LogP3.54
Rot. Bonds3

About 8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine

8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine (PubChem CID 123920773) has the molecular formula C19H25ClN6S and a molecular weight of 404.97 g/mol. Its IUPAC name is 8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
PubChem CID123920773
Molecular FormulaC19H25ClN6S
Molecular Weight404.97 g/mol
Exact Mass404.15
IUPAC Name8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
SMILESNc1cccc(Sc2ncc(N3CCC4(CCCC4N)CC3)nc2N)c1Cl
InChIInChI=1S/C19H25ClN6S/c20-16-12(21)3-1-4-13(16)27-18-17(23)25-15(11-24-18)26-9-7-19(8-10-26)6-2-5-14(19)22/h1,3-4,11,14H,2,5-10,21-22H2,(H2,23,25)
InChIKeyRYQKNCCCQCKZDS-UHFFFAOYSA-N
XLogP3.54
TPSA107.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.97
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

(3S,4S)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 164611459
(4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 118238414
US10301278, Example 3
CID 118239524
US10336774, Example 3
CID 118247721
US10301278, Example 20
CID 118248948
(4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 124146374
N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]acetamide
CID 156010546
US10336774, Example 77
CID 118238297
US10301278, Example 44
CID 118239522
US10336774, Example 91
CID 118247712
US10336774, Example 92
CID 118247725
US10336774, Example 65
CID 118247766

Frequently Asked Questions

What is the IUPAC name of 8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of 8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine (CID 123920773) is 8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for 8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for 8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine is Nc1cccc(Sc2ncc(N3CCC4(CCCC4N)CC3)nc2N)c1Cl.
What is the InChIKey of 8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine?
The InChIKey is RYQKNCCCQCKZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN6S/c20-16-12(21)3-1-4-13(16)27-18-17(23)25-15(11-24-18)26-9-7-19(8-10-26)6-2-5-14(19)22/h1,3-4,11,14H,2,5-10,21-22H2,(H2,23,25).
What are the key properties of 8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine?
8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine has a molecular weight of 404.97 g/mol, XLogP of 3.54, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 123920773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).