6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazine-2-carbonitrile

C19H20Cl2N6S — CID 134182842

IUPAC6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazine-2-carbonitrile
SMILESN#Cc1nc(N2CCC3(CCC[C@H]3N)CC2)cnc1Sc1ccnc(Cl)c1Cl
InChIInChI=1S/C19H20Cl2N6S/c20-16-13(3-7-24-17(16)21)28-18-12(10-22)26-15(11-25-18)27-8-5-19(6-9-27)4-1-2-14(19)23/h3,7,11,14H,1-2,4-6,8-9,23H2/t14-/m1/s1
InChIKeyYPUCJXDFYPVEOY-CQSZACIVSA-N
MW435.38 g/mol
LogP4.30
Rot. Bonds3

About 6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazine-2-carbonitrile

6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazine-2-carbonitrile (PubChem CID 134182842) has the molecular formula C19H20Cl2N6S and a molecular weight of 435.38 g/mol. Its IUPAC name is 6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazine-2-carbonitrile
PubChem CID134182842
Molecular FormulaC19H20Cl2N6S
Molecular Weight435.38 g/mol
Exact Mass434.08
IUPAC Name6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazine-2-carbonitrile
SMILESN#Cc1nc(N2CCC3(CCC[C@H]3N)CC2)cnc1Sc1ccnc(Cl)c1Cl
InChIInChI=1S/C19H20Cl2N6S/c20-16-13(3-7-24-17(16)21)28-18-12(10-22)26-15(11-25-18)27-8-5-19(6-9-27)4-1-2-14(19)23/h3,7,11,14H,1-2,4-6,8-9,23H2/t14-/m1/s1
InChIKeyYPUCJXDFYPVEOY-CQSZACIVSA-N
XLogP4.30
TPSA91.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.38
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazine-2-carbonitrile?
The IUPAC name of 6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazine-2-carbonitrile (CID 134182842) is 6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazine-2-carbonitrile.
What is the SMILES notation for 6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazine-2-carbonitrile?
The canonical SMILES for 6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazine-2-carbonitrile is N#Cc1nc(N2CCC3(CCC[C@H]3N)CC2)cnc1Sc1ccnc(Cl)c1Cl.
What is the InChIKey of 6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazine-2-carbonitrile?
The InChIKey is YPUCJXDFYPVEOY-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20Cl2N6S/c20-16-13(3-7-24-17(16)21)28-18-12(10-22)26-15(11-25-18)27-8-5-19(6-9-27)4-1-2-14(19)23/h3,7,11,14H,1-2,4-6,8-9,23H2/t14-/m1/s1.
What are the key properties of 6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazine-2-carbonitrile?
6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazine-2-carbonitrile has a molecular weight of 435.38 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazine-2-carbonitrile is sourced from PubChem (CID 134182842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).