3-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-2-chlorobenzonitrile

C20H19ClN6S — CID 146554208

IUPAC3-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-2-chlorobenzonitrile
SMILESCC1(N)CCN(c2cnc3nc(Sc4cccc(C#N)c4Cl)ccc3n2)CC1
InChIInChI=1S/C20H19ClN6S/c1-20(23)7-9-27(10-8-20)16-12-24-19-14(25-16)5-6-17(26-19)28-15-4-2-3-13(11-22)18(15)21/h2-6,12H,7-10,23H2,1H3
InChIKeyRMZKUOVRTWVBDH-UHFFFAOYSA-N
MW410.93 g/mol
LogP4.02
Rot. Bonds3

About 3-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-2-chlorobenzonitrile

3-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-2-chlorobenzonitrile (PubChem CID 146554208) has the molecular formula C20H19ClN6S and a molecular weight of 410.93 g/mol. Its IUPAC name is 3-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-2-chlorobenzonitrile.

Molecular Properties

Compound Name3-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-2-chlorobenzonitrile
PubChem CID146554208
Molecular FormulaC20H19ClN6S
Molecular Weight410.93 g/mol
Exact Mass410.11
IUPAC Name3-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-2-chlorobenzonitrile
SMILESCC1(N)CCN(c2cnc3nc(Sc4cccc(C#N)c4Cl)ccc3n2)CC1
InChIInChI=1S/C20H19ClN6S/c1-20(23)7-9-27(10-8-20)16-12-24-19-14(25-16)5-6-17(26-19)28-15-4-2-3-13(11-22)18(15)21/h2-6,12H,7-10,23H2,1H3
InChIKeyRMZKUOVRTWVBDH-UHFFFAOYSA-N
XLogP4.02
TPSA91.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.93
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-2-chlorobenzonitrile 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
1-[6-(2-Chloro-3-fluorophenyl)pyrido[2,3-b]pyrazin-2-yl]-4-methylpiperidin-4-amine
CID 146485587
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
[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
1-N-(2-chloro-3-methylphenyl)sulfanyl-2,4,5-trifluoro-3-N-(6-methylsulfanylpyrimido[5,4-d]pyrimidin-4-yl)benzene-1,3-diamine
CID 166081924
3-Chloro-4-[[6-[4-(2-fluorophenyl)-3-methyl-4-(methylamino)piperidin-1-yl]-1,5-naphthyridin-2-yl]sulfanyl]pyridin-2-amine
CID 164860693
6-{2-[2-(2-Chloro-phenyl)-pyrido[3,2-d]pyrimidin-4-ylamino]-ethylamino}-nicotinonitrile
CID 10194322
6-[(3-Chloro-2-pyridinyl)sulfanyl]-2-(5-methylpyrazin-2-yl)quinazolin-4-amine
CID 23160290

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-2-chlorobenzonitrile?
The IUPAC name of 3-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-2-chlorobenzonitrile (CID 146554208) is 3-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-2-chlorobenzonitrile.
What is the SMILES notation for 3-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-2-chlorobenzonitrile?
The canonical SMILES for 3-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-2-chlorobenzonitrile is CC1(N)CCN(c2cnc3nc(Sc4cccc(C#N)c4Cl)ccc3n2)CC1.
What is the InChIKey of 3-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-2-chlorobenzonitrile?
The InChIKey is RMZKUOVRTWVBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6S/c1-20(23)7-9-27(10-8-20)16-12-24-19-14(25-16)5-6-17(26-19)28-15-4-2-3-13(11-22)18(15)21/h2-6,12H,7-10,23H2,1H3.
What are the key properties of 3-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-2-chlorobenzonitrile?
3-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-2-chlorobenzonitrile has a molecular weight of 410.93 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-2-chlorobenzonitrile is sourced from PubChem (CID 146554208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).