3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)pyrazin-2-amine

C21H25ClN6S — CID 163831275

IUPAC3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)pyrazin-2-amine
SMILESNc1nc(N2CCC3(CC=C(C4CC4)C3)CC2)cnc1Sc1ccnc(N)c1Cl
InChIInChI=1S/C21H25ClN6S/c22-17-15(4-8-25-18(17)23)29-20-19(24)27-16(12-26-20)28-9-6-21(7-10-28)5-3-14(11-21)13-1-2-13/h3-4,8,12-13H,1-2,5-7,9-11H2,(H2,23,25)(H2,24,27)
InChIKeyODVPDFZMOHQANL-UHFFFAOYSA-N
MW428.99 g/mol
LogP4.56
Rot. Bonds4

About 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)pyrazin-2-amine

3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)pyrazin-2-amine (PubChem CID 163831275) has the molecular formula C21H25ClN6S and a molecular weight of 428.99 g/mol. Its IUPAC name is 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)pyrazin-2-amine
PubChem CID163831275
Molecular FormulaC21H25ClN6S
Molecular Weight428.99 g/mol
Exact Mass428.15
IUPAC Name3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)pyrazin-2-amine
SMILESNc1nc(N2CCC3(CC=C(C4CC4)C3)CC2)cnc1Sc1ccnc(N)c1Cl
InChIInChI=1S/C21H25ClN6S/c22-17-15(4-8-25-18(17)23)29-20-19(24)27-16(12-26-20)28-9-6-21(7-10-28)5-3-14(11-21)13-1-2-13/h3-4,8,12-13H,1-2,5-7,9-11H2,(H2,23,25)(H2,24,27)
InChIKeyODVPDFZMOHQANL-UHFFFAOYSA-N
XLogP4.56
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.99
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)-5-methylpyrazin-2-yl]cyclopropan-1-ol
CID 166781386
8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 123693552
4-[5-(8-azaspiro[4.5]decan-8-yl)-3-iodopyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine
CID 134183046
1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 142433883
(5S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 135337300
1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[3,4-dihydro-2H-naphthalene-1,4'-piperidine]-2-amine
CID 142434017
(4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-1-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 118247899
7-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine
CID 123271805
(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6,7-difluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 155385238
(3aR)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[2,3,3a,4,6,6a-hexahydrocyclopenta[b]furan-5,4'-piperidine]-4-amine
CID 150621154
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
(2R)-2-amino-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[2,3-dihydroindene-1,4'-piperidine]-4-carbonitrile
CID 142433799

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)pyrazin-2-amine?
The IUPAC name of 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)pyrazin-2-amine (CID 163831275) is 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)pyrazin-2-amine.
What is the SMILES notation for 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)pyrazin-2-amine?
The canonical SMILES for 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)pyrazin-2-amine is Nc1nc(N2CCC3(CC=C(C4CC4)C3)CC2)cnc1Sc1ccnc(N)c1Cl.
What is the InChIKey of 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)pyrazin-2-amine?
The InChIKey is ODVPDFZMOHQANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN6S/c22-17-15(4-8-25-18(17)23)29-20-19(24)27-16(12-26-20)28-9-6-21(7-10-28)5-3-14(11-21)13-1-2-13/h3-4,8,12-13H,1-2,5-7,9-11H2,(H2,23,25)(H2,24,27).
What are the key properties of 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)pyrazin-2-amine?
3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)pyrazin-2-amine has a molecular weight of 428.99 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)pyrazin-2-amine is sourced from PubChem (CID 163831275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).