(4S)-1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]azepan-4-amine

C18H20ClN7S — CID 146553816

IUPAC(4S)-1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]azepan-4-amine
SMILESNc1nccc(Sc2ccc3nc(N4CCC[C@H](N)CC4)cnc3n2)c1Cl
InChIInChI=1S/C18H20ClN7S/c19-16-13(5-7-22-17(16)21)27-15-4-3-12-18(25-15)23-10-14(24-12)26-8-1-2-11(20)6-9-26/h3-5,7,10-11H,1-2,6,8-9,20H2,(H2,21,22)/t11-/m0/s1
InChIKeyZLEYPUJZZGTSLW-NSHDSACASA-N
MW401.93 g/mol
LogP3.12
Rot. Bonds3

About (4S)-1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]azepan-4-amine

(4S)-1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]azepan-4-amine (PubChem CID 146553816) has the molecular formula C18H20ClN7S and a molecular weight of 401.93 g/mol. Its IUPAC name is (4S)-1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]azepan-4-amine.

Molecular Properties

Compound Name(4S)-1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]azepan-4-amine
PubChem CID146553816
Molecular FormulaC18H20ClN7S
Molecular Weight401.93 g/mol
Exact Mass401.12
IUPAC Name(4S)-1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]azepan-4-amine
SMILESNc1nccc(Sc2ccc3nc(N4CCC[C@H](N)CC4)cnc3n2)c1Cl
InChIInChI=1S/C18H20ClN7S/c19-16-13(5-7-22-17(16)21)27-15-4-3-12-18(25-15)23-10-14(24-12)26-8-1-2-11(20)6-9-26/h3-5,7,10-11H,1-2,6,8-9,20H2,(H2,21,22)/t11-/m0/s1
InChIKeyZLEYPUJZZGTSLW-NSHDSACASA-N
XLogP3.12
TPSA106.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.93
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (4S)-1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]azepan-4-amine with MolForge

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Related Compounds

1-{6-[(2,3-Dichlorophenyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl}-4-methylpiperidin-4-amine
CID 146485825
(1R,5S)-3-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-3-azabicyclo[3.1.1]heptan-6-amine
CID 146485611
4-[2-[4-(Aminomethyl)-4-methylpiperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine
CID 146485650
4-[2-(4-Amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine
CID 146485656
3-Chloro-4-[2-[4-methyl-4-(methylamino)piperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanylpyridin-2-amine
CID 146554211
(1S,5S)-8-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-8-azabicyclo[3.2.1]octan-3-amine
CID 162493345
6-Methyl-3-phenylsulfanylpyrido[2,3-b]pyrazin-7-amine
CID 137633611
[1-[6-(2,3-Dichlorophenyl)sulfanylpyrido[2,3-b]pyrazin-2-yl]-4-fluoropiperidin-4-yl]methanamine
CID 146553933
4-[2-[4-(Aminomethyl)-4-fluoropiperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine
CID 146553935
4-[2-[4-Amino-4-(trifluoromethyl)piperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine
CID 146554033
(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
3-Chloro-4-[2-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanylpyridin-2-amine
CID 153567684

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]azepan-4-amine?
The IUPAC name of (4S)-1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]azepan-4-amine (CID 146553816) is (4S)-1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]azepan-4-amine.
What is the SMILES notation for (4S)-1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]azepan-4-amine?
The canonical SMILES for (4S)-1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]azepan-4-amine is Nc1nccc(Sc2ccc3nc(N4CCC[C@H](N)CC4)cnc3n2)c1Cl.
What is the InChIKey of (4S)-1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]azepan-4-amine?
The InChIKey is ZLEYPUJZZGTSLW-NSHDSACASA-N. The full InChI is InChI=1S/C18H20ClN7S/c19-16-13(5-7-22-17(16)21)27-15-4-3-12-18(25-15)23-10-14(24-12)26-8-1-2-11(20)6-9-26/h3-5,7,10-11H,1-2,6,8-9,20H2,(H2,21,22)/t11-/m0/s1.
What are the key properties of (4S)-1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]azepan-4-amine?
(4S)-1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]azepan-4-amine has a molecular weight of 401.93 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]azepan-4-amine is sourced from PubChem (CID 146553816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).