7-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine

C17H20Cl2N6S — CID 123271805

IUPAC7-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine
SMILESNc1nc(N2CCC3(CCC3N)CC2)cnc1Sc1ccnc(Cl)c1Cl
InChIInChI=1S/C17H20Cl2N6S/c18-13-10(2-6-22-14(13)19)26-16-15(21)24-12(9-23-16)25-7-4-17(5-8-25)3-1-11(17)20/h2,6,9,11H,1,3-5,7-8,20H2,(H2,21,24)
InChIKeyUWTAVMJPLZOYDB-UHFFFAOYSA-N
MW411.36 g/mol
LogP3.62
Rot. Bonds3

About 7-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine

7-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine (PubChem CID 123271805) has the molecular formula C17H20Cl2N6S and a molecular weight of 411.36 g/mol. Its IUPAC name is 7-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine.

Molecular Properties

Compound Name7-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine
PubChem CID123271805
Molecular FormulaC17H20Cl2N6S
Molecular Weight411.36 g/mol
Exact Mass410.08
IUPAC Name7-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine
SMILESNc1nc(N2CCC3(CCC3N)CC2)cnc1Sc1ccnc(Cl)c1Cl
InChIInChI=1S/C17H20Cl2N6S/c18-13-10(2-6-22-14(13)19)26-16-15(21)24-12(9-23-16)25-7-4-17(5-8-25)3-1-11(17)20/h2,6,9,11H,1,3-5,7-8,20H2,(H2,21,24)
InChIKeyUWTAVMJPLZOYDB-UHFFFAOYSA-N
XLogP3.62
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.36
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 7-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine with MolForge

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Related Compounds

(3S)-7-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine;(3S,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4R)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3S)-7-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine
CID 158312015
8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 123693552
4-amino-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-2-ol
CID 123531032
(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 134182942
8-[6-amino-5-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 123512951
8-[6-amino-5-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 123630889
(4R)-8-[6-amino-5-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 118247922
[4-amino-1-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol
CID 118239415
(R)-N-[7-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-yl]-2-methylpropane-2-sulfinamide
CID 144887444
(7R)-2-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-2-azaspiro[3.3]heptan-7-amine
CID 118247967
8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine
CID 123510946
3-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine
CID 134401654

Frequently Asked Questions

What is the IUPAC name of 7-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine?
The IUPAC name of 7-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine (CID 123271805) is 7-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine.
What is the SMILES notation for 7-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine?
The canonical SMILES for 7-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine is Nc1nc(N2CCC3(CCC3N)CC2)cnc1Sc1ccnc(Cl)c1Cl.
What is the InChIKey of 7-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine?
The InChIKey is UWTAVMJPLZOYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N6S/c18-13-10(2-6-22-14(13)19)26-16-15(21)24-12(9-23-16)25-7-4-17(5-8-25)3-1-11(17)20/h2,6,9,11H,1,3-5,7-8,20H2,(H2,21,24).
What are the key properties of 7-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine?
7-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine has a molecular weight of 411.36 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine is sourced from PubChem (CID 123271805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).