(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine

C19H23Cl2N5S — CID 134182942

IUPAC(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
SMILESCc1nc(N2CCC3(CCC[C@H]3N)CC2)cnc1Sc1ccnc(Cl)c1Cl
InChIInChI=1S/C19H23Cl2N5S/c1-12-18(27-13-4-8-23-17(21)16(13)20)24-11-15(25-12)26-9-6-19(7-10-26)5-2-3-14(19)22/h4,8,11,14H,2-3,5-7,9-10,22H2,1H3/t14-/m1/s1
InChIKeyZSPLBZYNMBENGY-CQSZACIVSA-N
MW424.40 g/mol
LogP4.74
Rot. Bonds3

About (4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine

(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine (PubChem CID 134182942) has the molecular formula C19H23Cl2N5S and a molecular weight of 424.40 g/mol. Its IUPAC name is (4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
PubChem CID134182942
Molecular FormulaC19H23Cl2N5S
Molecular Weight424.40 g/mol
Exact Mass423.11
IUPAC Name(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
SMILESCc1nc(N2CCC3(CCC[C@H]3N)CC2)cnc1Sc1ccnc(Cl)c1Cl
InChIInChI=1S/C19H23Cl2N5S/c1-12-18(27-13-4-8-23-17(21)16(13)20)24-11-15(25-12)26-9-6-19(7-10-26)5-2-3-14(19)22/h4,8,11,14H,2-3,5-7,9-10,22H2,1H3/t14-/m1/s1
InChIKeyZSPLBZYNMBENGY-CQSZACIVSA-N
XLogP4.74
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine (CID 134182942) is (4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine is Cc1nc(N2CCC3(CCC[C@H]3N)CC2)cnc1Sc1ccnc(Cl)c1Cl.
What is the InChIKey of (4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine?
The InChIKey is ZSPLBZYNMBENGY-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23Cl2N5S/c1-12-18(27-13-4-8-23-17(21)16(13)20)24-11-15(25-12)26-9-6-19(7-10-26)5-2-3-14(19)22/h4,8,11,14H,2-3,5-7,9-10,22H2,1H3/t14-/m1/s1.
What are the key properties of (4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine?
(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine has a molecular weight of 424.40 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 134182942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).