4-methyl-1-[5-[2-(trifluoromethyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine

C18H19F3N6S — CID 155796503

IUPAC4-methyl-1-[5-[2-(trifluoromethyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine
SMILESCC1(N)CCN(c2nc3ncc(Sc4ccccc4C(F)(F)F)nc3[nH]2)CC1
InChIInChI=1S/C18H19F3N6S/c1-17(22)6-8-27(9-7-17)16-25-14-15(26-16)24-13(10-23-14)28-12-5-3-2-4-11(12)18(19,20)21/h2-5,10H,6-9,22H2,1H3,(H,23,24,25,26)
InChIKeyHMVTVSUMJHUKRW-UHFFFAOYSA-N
MW408.45 g/mol
LogP3.84
Rot. Bonds3

About 4-methyl-1-[5-[2-(trifluoromethyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine

4-methyl-1-[5-[2-(trifluoromethyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine (PubChem CID 155796503) has the molecular formula C18H19F3N6S and a molecular weight of 408.45 g/mol. Its IUPAC name is 4-methyl-1-[5-[2-(trifluoromethyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name4-methyl-1-[5-[2-(trifluoromethyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine
PubChem CID155796503
Molecular FormulaC18H19F3N6S
Molecular Weight408.45 g/mol
Exact Mass408.13
IUPAC Name4-methyl-1-[5-[2-(trifluoromethyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine
SMILESCC1(N)CCN(c2nc3ncc(Sc4ccccc4C(F)(F)F)nc3[nH]2)CC1
InChIInChI=1S/C18H19F3N6S/c1-17(22)6-8-27(9-7-17)16-25-14-15(26-16)24-13(10-23-14)28-12-5-3-2-4-11(12)18(19,20)21/h2-5,10H,6-9,22H2,1H3,(H,23,24,25,26)
InChIKeyHMVTVSUMJHUKRW-UHFFFAOYSA-N
XLogP3.84
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-methyl-1-[5-[2-(trifluoromethyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine with MolForge

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Related Compounds

US10301278, Example 4
CID 118248912
US10301278, Example 26
CID 118248943
6-(4-Amino-4-methylpiperidin-1-yl)-3-(2-methylphenyl)sulfanylpyrazin-2-amine
CID 168285324
4-methyl-1-[5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine
CID 155796684
4-methyl-1-[5-[[6-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine
CID 155796511
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-[[2-(4-amino-4-methylpiperidin-1-yl)-3H-imidazo[4,5-b]pyrazin-5-yl]sulfanyl]-3-(trifluoromethyl)benzonitrile
CID 155796697
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
2-benzylsulfanyl-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine
CID 133389797

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[5-[2-(trifluoromethyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine?
The IUPAC name of 4-methyl-1-[5-[2-(trifluoromethyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine (CID 155796503) is 4-methyl-1-[5-[2-(trifluoromethyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine.
What is the SMILES notation for 4-methyl-1-[5-[2-(trifluoromethyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine?
The canonical SMILES for 4-methyl-1-[5-[2-(trifluoromethyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine is CC1(N)CCN(c2nc3ncc(Sc4ccccc4C(F)(F)F)nc3[nH]2)CC1.
What is the InChIKey of 4-methyl-1-[5-[2-(trifluoromethyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine?
The InChIKey is HMVTVSUMJHUKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6S/c1-17(22)6-8-27(9-7-17)16-25-14-15(26-16)24-13(10-23-14)28-12-5-3-2-4-11(12)18(19,20)21/h2-5,10H,6-9,22H2,1H3,(H,23,24,25,26).
What are the key properties of 4-methyl-1-[5-[2-(trifluoromethyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine?
4-methyl-1-[5-[2-(trifluoromethyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine has a molecular weight of 408.45 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[5-[2-(trifluoromethyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine is sourced from PubChem (CID 155796503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).