5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methylsulfanyl]-6-phenylpyrazin-2-amine

C26H21ClN6S — CID 137430401

IUPAC5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methylsulfanyl]-6-phenylpyrazin-2-amine
SMILESCNc1ccc(CSc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)cn1
InChIInChI=1S/C26H21ClN6S/c1-29-21-10-9-16(14-31-21)15-34-26-25(28)32-23(17-6-3-2-4-7-17)24(33-26)19-12-18-8-5-11-30-22(18)20(27)13-19/h2-14H,15H2,1H3,(H2,28,32)(H,29,31)
InChIKeyMVLHGKBRDRWMDG-UHFFFAOYSA-N
MW485.02 g/mol
LogP6.32
Rot. Bonds6

About 5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methylsulfanyl]-6-phenylpyrazin-2-amine

5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methylsulfanyl]-6-phenylpyrazin-2-amine (PubChem CID 137430401) has the molecular formula C26H21ClN6S and a molecular weight of 485.02 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methylsulfanyl]-6-phenylpyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methylsulfanyl]-6-phenylpyrazin-2-amine
PubChem CID137430401
Molecular FormulaC26H21ClN6S
Molecular Weight485.02 g/mol
Exact Mass484.12
IUPAC Name5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methylsulfanyl]-6-phenylpyrazin-2-amine
SMILESCNc1ccc(CSc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)cn1
InChIInChI=1S/C26H21ClN6S/c1-29-21-10-9-16(14-31-21)15-34-26-25(28)32-23(17-6-3-2-4-7-17)24(33-26)19-12-18-8-5-11-30-22(18)20(27)13-19/h2-14H,15H2,1H3,(H2,28,32)(H,29,31)
InChIKeyMVLHGKBRDRWMDG-UHFFFAOYSA-N
XLogP6.32
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.02
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methylsulfanyl]-6-phenylpyrazin-2-amine with MolForge

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Related Compounds

5-(8-Chloroquinolin-6-yl)-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine
CID 137423841
5-(8-Chloroquinolin-6-yl)-3-fluoro-6-phenylpyrazin-2-amine
CID 137430247
5-(8-Chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethylsulfanyl]pyrazin-2-amine
CID 137430372
5-(8-Chloroquinolin-6-yl)-3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyrazin-2-amine
CID 137430380
5-(8-chloroquinolin-6-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine
CID 137430418
5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-phenylpyrazine-2,3-diamine
CID 137430425
5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(2-methyl-1,3-thiazol-5-yl)pyrazine-2,3-diamine
CID 137430582
5-(8-Chloroquinolin-6-yl)-3-[(4-fluorophenyl)methylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
CID 137431275
5-(8-Chloro-4-methylquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine
CID 137431535
5-(8-Chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine
CID 154604318
5-(8-chloroquinolin-6-yl)-3-N-[2-(diethylamino)ethyl]-6-(4-fluorophenyl)pyrazine-2,3-diamine
CID 154604374
8-(8-Chloroquinolin-6-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine
CID 154608558

Frequently Asked Questions

What is the IUPAC name of 5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methylsulfanyl]-6-phenylpyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methylsulfanyl]-6-phenylpyrazin-2-amine (CID 137430401) is 5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methylsulfanyl]-6-phenylpyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methylsulfanyl]-6-phenylpyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methylsulfanyl]-6-phenylpyrazin-2-amine is CNc1ccc(CSc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)cn1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methylsulfanyl]-6-phenylpyrazin-2-amine?
The InChIKey is MVLHGKBRDRWMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN6S/c1-29-21-10-9-16(14-31-21)15-34-26-25(28)32-23(17-6-3-2-4-7-17)24(33-26)19-12-18-8-5-11-30-22(18)20(27)13-19/h2-14H,15H2,1H3,(H2,28,32)(H,29,31).
What are the key properties of 5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methylsulfanyl]-6-phenylpyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methylsulfanyl]-6-phenylpyrazin-2-amine has a molecular weight of 485.02 g/mol, XLogP of 6.32, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methylsulfanyl]-6-phenylpyrazin-2-amine is sourced from PubChem (CID 137430401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).