4-(methylamino)-1-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]butan-1-one

C17H26F3N5O — CID 146114276

IUPAC4-(methylamino)-1-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]butan-1-one
SMILESCNCCCC(=O)N1CCC(c2nc(C(F)(F)F)n3c2CNCC3)CC1
InChIInChI=1S/C17H26F3N5O/c1-21-6-2-3-14(26)24-8-4-12(5-9-24)15-13-11-22-7-10-25(13)16(23-15)17(18,19)20/h12,21-22H,2-11H2,1H3
InChIKeyMZCNYGAIGJJFLX-UHFFFAOYSA-N
MW373.42 g/mol
LogP1.71
Rot. Bonds5

About 4-(methylamino)-1-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]butan-1-one

4-(methylamino)-1-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]butan-1-one (PubChem CID 146114276) has the molecular formula C17H26F3N5O and a molecular weight of 373.42 g/mol. Its IUPAC name is 4-(methylamino)-1-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-(methylamino)-1-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]butan-1-one
PubChem CID146114276
Molecular FormulaC17H26F3N5O
Molecular Weight373.42 g/mol
Exact Mass373.21
IUPAC Name4-(methylamino)-1-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]butan-1-one
SMILESCNCCCC(=O)N1CCC(c2nc(C(F)(F)F)n3c2CNCC3)CC1
InChIInChI=1S/C17H26F3N5O/c1-21-6-2-3-14(26)24-8-4-12(5-9-24)15-13-11-22-7-10-25(13)16(23-15)17(18,19)20/h12,21-22H,2-11H2,1H3
InChIKeyMZCNYGAIGJJFLX-UHFFFAOYSA-N
XLogP1.71
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-1-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]butan-1-one?
The IUPAC name of 4-(methylamino)-1-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]butan-1-one (CID 146114276) is 4-(methylamino)-1-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4-(methylamino)-1-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 4-(methylamino)-1-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]butan-1-one is CNCCCC(=O)N1CCC(c2nc(C(F)(F)F)n3c2CNCC3)CC1.
What is the InChIKey of 4-(methylamino)-1-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]butan-1-one?
The InChIKey is MZCNYGAIGJJFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N5O/c1-21-6-2-3-14(26)24-8-4-12(5-9-24)15-13-11-22-7-10-25(13)16(23-15)17(18,19)20/h12,21-22H,2-11H2,1H3.
What are the key properties of 4-(methylamino)-1-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]butan-1-one?
4-(methylamino)-1-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]butan-1-one has a molecular weight of 373.42 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-1-[4-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 146114276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).