(3S,4R)-3-hydroxy-4-methyl-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]hexanamide

C14H21F3N4O2 — CID 118888254

IUPAC(3S,4R)-3-hydroxy-4-methyl-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]hexanamide
SMILESC[C@H](CCN1CCn2cc(C(F)(F)F)nc2C1)[C@@H](O)CC(N)=O
InChIInChI=1S/C14H21F3N4O2/c1-9(10(22)6-12(18)23)2-3-20-4-5-21-7-11(14(15,16)17)19-13(21)8-20/h7,9-10,22H,2-6,8H2,1H3,(H2,18,23)/t9-,10+/m1/s1
InChIKeyCKTJKBARKOBYSO-ZJUUUORDSA-N
MW334.34 g/mol
LogP0.98
Rot. Bonds6

About (3S,4R)-3-hydroxy-4-methyl-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]hexanamide

(3S,4R)-3-hydroxy-4-methyl-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]hexanamide (PubChem CID 118888254) has the molecular formula C14H21F3N4O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is (3S,4R)-3-hydroxy-4-methyl-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]hexanamide.

Molecular Properties

Compound Name(3S,4R)-3-hydroxy-4-methyl-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]hexanamide
PubChem CID118888254
Molecular FormulaC14H21F3N4O2
Molecular Weight334.34 g/mol
Exact Mass334.16
IUPAC Name(3S,4R)-3-hydroxy-4-methyl-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]hexanamide
SMILESC[C@H](CCN1CCn2cc(C(F)(F)F)nc2C1)[C@@H](O)CC(N)=O
InChIInChI=1S/C14H21F3N4O2/c1-9(10(22)6-12(18)23)2-3-20-4-5-21-7-11(14(15,16)17)19-13(21)8-20/h7,9-10,22H,2-6,8H2,1H3,(H2,18,23)/t9-,10+/m1/s1
InChIKeyCKTJKBARKOBYSO-ZJUUUORDSA-N
XLogP0.98
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-hydroxy-4-methyl-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]hexanamide?
The IUPAC name of (3S,4R)-3-hydroxy-4-methyl-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]hexanamide (CID 118888254) is (3S,4R)-3-hydroxy-4-methyl-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]hexanamide.
What is the SMILES notation for (3S,4R)-3-hydroxy-4-methyl-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]hexanamide?
The canonical SMILES for (3S,4R)-3-hydroxy-4-methyl-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]hexanamide is C[C@H](CCN1CCn2cc(C(F)(F)F)nc2C1)[C@@H](O)CC(N)=O.
What is the InChIKey of (3S,4R)-3-hydroxy-4-methyl-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]hexanamide?
The InChIKey is CKTJKBARKOBYSO-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H21F3N4O2/c1-9(10(22)6-12(18)23)2-3-20-4-5-21-7-11(14(15,16)17)19-13(21)8-20/h7,9-10,22H,2-6,8H2,1H3,(H2,18,23)/t9-,10+/m1/s1.
What are the key properties of (3S,4R)-3-hydroxy-4-methyl-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]hexanamide?
(3S,4R)-3-hydroxy-4-methyl-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]hexanamide has a molecular weight of 334.34 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-hydroxy-4-methyl-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]hexanamide is sourced from PubChem (CID 118888254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).