3-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-3-azabicyclo[3.2.1]octan-8-amine

C19H20ClN7S — CID 156901247

IUPAC3-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-3-azabicyclo[3.2.1]octan-8-amine
SMILESNc1nccc(Sc2ccc3nc(N4CC5CCC(C4)C5N)cnc3n2)c1Cl
InChIInChI=1S/C19H20ClN7S/c20-16-13(5-6-23-18(16)22)28-15-4-3-12-19(26-15)24-7-14(25-12)27-8-10-1-2-11(9-27)17(10)21/h3-7,10-11,17H,1-2,8-9,21H2,(H2,22,23)
InChIKeyPUQGEIVPJKPZSK-UHFFFAOYSA-N
MW413.94 g/mol
LogP2.98
Rot. Bonds3

About 3-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-3-azabicyclo[3.2.1]octan-8-amine

3-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-3-azabicyclo[3.2.1]octan-8-amine (PubChem CID 156901247) has the molecular formula C19H20ClN7S and a molecular weight of 413.94 g/mol. Its IUPAC name is 3-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-3-azabicyclo[3.2.1]octan-8-amine.

Molecular Properties

Compound Name3-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-3-azabicyclo[3.2.1]octan-8-amine
PubChem CID156901247
Molecular FormulaC19H20ClN7S
Molecular Weight413.94 g/mol
Exact Mass413.12
IUPAC Name3-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-3-azabicyclo[3.2.1]octan-8-amine
SMILESNc1nccc(Sc2ccc3nc(N4CC5CCC(C4)C5N)cnc3n2)c1Cl
InChIInChI=1S/C19H20ClN7S/c20-16-13(5-6-23-18(16)22)28-15-4-3-12-19(26-15)24-7-14(25-12)27-8-10-1-2-11(9-27)17(10)21/h3-7,10-11,17H,1-2,8-9,21H2,(H2,22,23)
InChIKeyPUQGEIVPJKPZSK-UHFFFAOYSA-N
XLogP2.98
TPSA106.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.94
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-3-azabicyclo[3.2.1]octan-8-amine with MolForge

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Related Compounds

3-chloro-4-[2-[(1S,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanylpyridin-2-amine
CID 156901245
(4R)-8-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine
CID 146554065
4-[2-[3-(aminomethyl)-2-butylpyrrolidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine
CID 166882090
[1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]azepan-4-yl]-methylcarbamic acid
CID 146485553
(1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 156901251
(6S)-8-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 146553819
3-chloro-4-(2-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrido[2,3-b]pyrazin-6-yl)sulfanylpyridin-2-amine
CID 146554051
(1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 146554238
(5S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-2-methylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 146485346
(5R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-3-fluorospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 146485690
(1R,5S)-8-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-8-azabicyclo[3.2.1]octan-3-amine
CID 146485492
1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-fluorospiro[3H-cyclopenta[b]pyridine-2,4'-piperidine]-1-amine
CID 156901246

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-3-azabicyclo[3.2.1]octan-8-amine?
The IUPAC name of 3-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-3-azabicyclo[3.2.1]octan-8-amine (CID 156901247) is 3-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-3-azabicyclo[3.2.1]octan-8-amine.
What is the SMILES notation for 3-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-3-azabicyclo[3.2.1]octan-8-amine?
The canonical SMILES for 3-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-3-azabicyclo[3.2.1]octan-8-amine is Nc1nccc(Sc2ccc3nc(N4CC5CCC(C4)C5N)cnc3n2)c1Cl.
What is the InChIKey of 3-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-3-azabicyclo[3.2.1]octan-8-amine?
The InChIKey is PUQGEIVPJKPZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN7S/c20-16-13(5-6-23-18(16)22)28-15-4-3-12-19(26-15)24-7-14(25-12)27-8-10-1-2-11(9-27)17(10)21/h3-7,10-11,17H,1-2,8-9,21H2,(H2,22,23).
What are the key properties of 3-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-3-azabicyclo[3.2.1]octan-8-amine?
3-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-3-azabicyclo[3.2.1]octan-8-amine has a molecular weight of 413.94 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-3-azabicyclo[3.2.1]octan-8-amine is sourced from PubChem (CID 156901247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).