1-[5-(2,3-dichlorophenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine

C17H18Cl2N6S — CID 155796689

IUPAC1-[5-(2,3-dichlorophenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine
SMILESCC1(N)CCN(c2nc3ncc(Sc4cccc(Cl)c4Cl)nc3[nH]2)CC1
InChIInChI=1S/C17H18Cl2N6S/c1-17(20)5-7-25(8-6-17)16-23-14-15(24-16)22-12(9-21-14)26-11-4-2-3-10(18)13(11)19/h2-4,9H,5-8,20H2,1H3,(H,21,22,23,24)
InChIKeyWXBBRUZOILNLED-UHFFFAOYSA-N
MW409.35 g/mol
LogP4.13
Rot. Bonds3

About 1-[5-(2,3-dichlorophenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine

1-[5-(2,3-dichlorophenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine (PubChem CID 155796689) has the molecular formula C17H18Cl2N6S and a molecular weight of 409.35 g/mol. Its IUPAC name is 1-[5-(2,3-dichlorophenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[5-(2,3-dichlorophenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine
PubChem CID155796689
Molecular FormulaC17H18Cl2N6S
Molecular Weight409.35 g/mol
Exact Mass408.07
IUPAC Name1-[5-(2,3-dichlorophenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine
SMILESCC1(N)CCN(c2nc3ncc(Sc4cccc(Cl)c4Cl)nc3[nH]2)CC1
InChIInChI=1S/C17H18Cl2N6S/c1-17(20)5-7-25(8-6-17)16-23-14-15(24-16)22-12(9-21-14)26-11-4-2-3-10(18)13(11)19/h2-4,9H,5-8,20H2,1H3,(H,21,22,23,24)
InChIKeyWXBBRUZOILNLED-UHFFFAOYSA-N
XLogP4.13
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.35
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[5-(2,3-dichlorophenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine with MolForge

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Related Compounds

6-(4-Amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)sulfanyl]pyrazin-2-amine
CID 118239942
6-[4-(Aminomethyl)piperidin-1-yl]-3-(2,3-dichlorophenyl)sulfanylpyrazin-2-amine
CID 168273115
1-[5-(2,3-dichlorophenyl)sulfanyl-6-methyl-1H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine
CID 155796661
US11179397, Example 48
CID 139427531
US10301278, Example 5
CID 118248923
1-[5-(2,4-difluorophenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine
CID 155796521
1-[5-(2,3-difluorophenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine
CID 155796607
1-[5-[2-chloro-5-(trifluoromethyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine
CID 155796692
4-methyl-1-[5-[2-(pentafluoro-lambda6-sulfanyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine
CID 165153652
4-methyl-1-[5-[3-(pentafluoro-lambda6-sulfanyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine
CID 165153672
3-(2,3-dichlorophenyl)sulfanyl-6-N-methyl-6-N-(piperidin-3-ylmethyl)pyrazine-2,6-diamine
CID 167432540
3-(2,3-dichlorophenyl)sulfanyl-6-N-methyl-6-N-(piperidin-4-ylmethyl)pyrazine-2,6-diamine
CID 167432545

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dichlorophenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine?
The IUPAC name of 1-[5-(2,3-dichlorophenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine (CID 155796689) is 1-[5-(2,3-dichlorophenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine.
What is the SMILES notation for 1-[5-(2,3-dichlorophenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine?
The canonical SMILES for 1-[5-(2,3-dichlorophenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine is CC1(N)CCN(c2nc3ncc(Sc4cccc(Cl)c4Cl)nc3[nH]2)CC1.
What is the InChIKey of 1-[5-(2,3-dichlorophenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine?
The InChIKey is WXBBRUZOILNLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N6S/c1-17(20)5-7-25(8-6-17)16-23-14-15(24-16)22-12(9-21-14)26-11-4-2-3-10(18)13(11)19/h2-4,9H,5-8,20H2,1H3,(H,21,22,23,24).
What are the key properties of 1-[5-(2,3-dichlorophenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine?
1-[5-(2,3-dichlorophenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine has a molecular weight of 409.35 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-dichlorophenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine is sourced from PubChem (CID 155796689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).