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

C17H18F2N6S — CID 155796607

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[5-(2,3-difluorophenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine
SMILESCC1(N)CCN(c2nc3ncc(Sc4cccc(F)c4F)nc3[nH]2)CC1
InChIInChI=1S/C17H18F2N6S/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)
InChIKeyNGIYJULQNJWHHN-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.10
Rot. Bonds3

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

1-[5-(2,3-difluorophenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine (PubChem CID 155796607) has the molecular formula C17H18F2N6S and a molecular weight of 376.44 g/mol. Its IUPAC name is 1-[5-(2,3-difluorophenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[5-(2,3-difluorophenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine
PubChem CID155796607
Molecular FormulaC17H18F2N6S
Molecular Weight376.44 g/mol
Exact Mass376.13
IUPAC Name1-[5-(2,3-difluorophenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine
SMILESCC1(N)CCN(c2nc3ncc(Sc4cccc(F)c4F)nc3[nH]2)CC1
InChIInChI=1S/C17H18F2N6S/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)
InChIKeyNGIYJULQNJWHHN-UHFFFAOYSA-N
XLogP3.10
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-difluorophenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine?
The IUPAC name of 1-[5-(2,3-difluorophenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine (CID 155796607) is 1-[5-(2,3-difluorophenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine.
What is the SMILES notation for 1-[5-(2,3-difluorophenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine?
The canonical SMILES for 1-[5-(2,3-difluorophenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine is CC1(N)CCN(c2nc3ncc(Sc4cccc(F)c4F)nc3[nH]2)CC1.
What is the InChIKey of 1-[5-(2,3-difluorophenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine?
The InChIKey is NGIYJULQNJWHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N6S/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-difluorophenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine?
1-[5-(2,3-difluorophenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine has a molecular weight of 376.44 g/mol, XLogP of 3.10, 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-difluorophenyl)sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]-4-methylpiperidin-4-amine is sourced from PubChem (CID 155796607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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