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

C19H25ClN6S — CID 118247931

IUPAC(4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
SMILESNc1cccc(Sc2ncc(N3CCC4(CCC[C@H]4N)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)/t14-/m1/s1
InChIKeyRYQKNCCCQCKZDS-CQSZACIVSA-N
MW404.97 g/mol
LogP3.54
Rot. Bonds3

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

(4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine (PubChem CID 118247931) has the molecular formula C19H25ClN6S and a molecular weight of 404.97 g/mol. Its IUPAC name is (4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
PubChem CID118247931
Molecular FormulaC19H25ClN6S
Molecular Weight404.97 g/mol
Exact Mass404.15
IUPAC Name(4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
SMILESNc1cccc(Sc2ncc(N3CCC4(CCC[C@H]4N)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)/t14-/m1/s1
InChIKeyRYQKNCCCQCKZDS-CQSZACIVSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine (CID 118247931) is (4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine is Nc1cccc(Sc2ncc(N3CCC4(CCC[C@H]4N)CC3)nc2N)c1Cl.
What is the InChIKey of (4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine?
The InChIKey is RYQKNCCCQCKZDS-CQSZACIVSA-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)/t14-/m1/s1.
What are the key properties of (4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine?
(4R)-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 (4R)-8-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 118247931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).