1-[6-(2,3-dichlorophenyl)sulfanylpyrido[2,3-b]pyrazin-2-yl]-4-methylpiperidin-4-amine

C19H19Cl2N5S — CID 146485825

IUPAC1-[6-(2,3-dichlorophenyl)sulfanylpyrido[2,3-b]pyrazin-2-yl]-4-methylpiperidin-4-amine
SMILESCC1(N)CCN(c2cnc3nc(Sc4cccc(Cl)c4Cl)ccc3n2)CC1
InChIInChI=1S/C19H19Cl2N5S/c1-19(22)7-9-26(10-8-19)15-11-23-18-13(24-15)5-6-16(25-18)27-14-4-2-3-12(20)17(14)21/h2-6,11H,7-10,22H2,1H3
InChIKeyACCDLDCDCLNKCH-UHFFFAOYSA-N
MW420.37 g/mol
LogP4.80
Rot. Bonds3

About 1-[6-(2,3-dichlorophenyl)sulfanylpyrido[2,3-b]pyrazin-2-yl]-4-methylpiperidin-4-amine

1-[6-(2,3-dichlorophenyl)sulfanylpyrido[2,3-b]pyrazin-2-yl]-4-methylpiperidin-4-amine (PubChem CID 146485825) has the molecular formula C19H19Cl2N5S and a molecular weight of 420.37 g/mol. Its IUPAC name is 1-[6-(2,3-dichlorophenyl)sulfanylpyrido[2,3-b]pyrazin-2-yl]-4-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[6-(2,3-dichlorophenyl)sulfanylpyrido[2,3-b]pyrazin-2-yl]-4-methylpiperidin-4-amine
PubChem CID146485825
Molecular FormulaC19H19Cl2N5S
Molecular Weight420.37 g/mol
Exact Mass419.07
IUPAC Name1-[6-(2,3-dichlorophenyl)sulfanylpyrido[2,3-b]pyrazin-2-yl]-4-methylpiperidin-4-amine
SMILESCC1(N)CCN(c2cnc3nc(Sc4cccc(Cl)c4Cl)ccc3n2)CC1
InChIInChI=1S/C19H19Cl2N5S/c1-19(22)7-9-26(10-8-19)15-11-23-18-13(24-15)5-6-16(25-18)27-14-4-2-3-12(20)17(14)21/h2-6,11H,7-10,22H2,1H3
InChIKeyACCDLDCDCLNKCH-UHFFFAOYSA-N
XLogP4.80
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.37
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[6-(2,3-dichlorophenyl)sulfanylpyrido[2,3-b]pyrazin-2-yl]-4-methylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[6-(2,3-Dichlorophenyl)pyrido[2,3-b]pyrazin-2-yl]-4-methylpiperidin-4-amine
CID 146485428
(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
(4S)-1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]azepan-4-amine
CID 146553816
3-[2-(4-Amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-2-chlorobenzonitrile
CID 146554208
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
US10301278, Example 28
CID 118248926
6-(3,4-Dichlorophenyl)sulfanylpteridine-2,4-diamine
CID 12736063
1-[7-(2,3-Dichlorophenyl)sulfanylpyrazolo[1,5-a]pyrazin-4-yl]-4-methylpiperidin-4-amine
CID 172462095
N'-[6-(3,4-dichlorophenyl)sulfanyl-2-[(E)-dimethylaminomethylideneamino]pteridin-4-yl]-N,N-dimethylmethanimidamide
CID 12736066

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,3-dichlorophenyl)sulfanylpyrido[2,3-b]pyrazin-2-yl]-4-methylpiperidin-4-amine?
The IUPAC name of 1-[6-(2,3-dichlorophenyl)sulfanylpyrido[2,3-b]pyrazin-2-yl]-4-methylpiperidin-4-amine (CID 146485825) is 1-[6-(2,3-dichlorophenyl)sulfanylpyrido[2,3-b]pyrazin-2-yl]-4-methylpiperidin-4-amine.
What is the SMILES notation for 1-[6-(2,3-dichlorophenyl)sulfanylpyrido[2,3-b]pyrazin-2-yl]-4-methylpiperidin-4-amine?
The canonical SMILES for 1-[6-(2,3-dichlorophenyl)sulfanylpyrido[2,3-b]pyrazin-2-yl]-4-methylpiperidin-4-amine is CC1(N)CCN(c2cnc3nc(Sc4cccc(Cl)c4Cl)ccc3n2)CC1.
What is the InChIKey of 1-[6-(2,3-dichlorophenyl)sulfanylpyrido[2,3-b]pyrazin-2-yl]-4-methylpiperidin-4-amine?
The InChIKey is ACCDLDCDCLNKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5S/c1-19(22)7-9-26(10-8-19)15-11-23-18-13(24-15)5-6-16(25-18)27-14-4-2-3-12(20)17(14)21/h2-6,11H,7-10,22H2,1H3.
What are the key properties of 1-[6-(2,3-dichlorophenyl)sulfanylpyrido[2,3-b]pyrazin-2-yl]-4-methylpiperidin-4-amine?
1-[6-(2,3-dichlorophenyl)sulfanylpyrido[2,3-b]pyrazin-2-yl]-4-methylpiperidin-4-amine has a molecular weight of 420.37 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,3-dichlorophenyl)sulfanylpyrido[2,3-b]pyrazin-2-yl]-4-methylpiperidin-4-amine is sourced from PubChem (CID 146485825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).