8-methyl-3-(oxan-4-ylmethoxymethyl)-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid

C19H30F3N3O4 — CID 118742734

IUPAC8-methyl-3-(oxan-4-ylmethoxymethyl)-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESCC(C)N1CCn2c(COCC3CCOCC3)cnc2C1C.O=C(O)C(F)(F)F
InChIInChI=1S/C17H29N3O2.C2HF3O2/c1-13(2)19-6-7-20-16(10-18-17(20)14(19)3)12-22-11-15-4-8-21-9-5-15;3-2(4,5)1(6)7/h10,13-15H,4-9,11-12H2,1-3H3;(H,6,7)
InChIKeyPSZCGTUEPFZCIP-UHFFFAOYSA-N
MW421.46 g/mol
LogP3.24
Rot. Bonds5

About 8-methyl-3-(oxan-4-ylmethoxymethyl)-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid

8-methyl-3-(oxan-4-ylmethoxymethyl)-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid (PubChem CID 118742734) has the molecular formula C19H30F3N3O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is 8-methyl-3-(oxan-4-ylmethoxymethyl)-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name8-methyl-3-(oxan-4-ylmethoxymethyl)-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
PubChem CID118742734
Molecular FormulaC19H30F3N3O4
Molecular Weight421.46 g/mol
Exact Mass421.22
IUPAC Name8-methyl-3-(oxan-4-ylmethoxymethyl)-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESCC(C)N1CCn2c(COCC3CCOCC3)cnc2C1C.O=C(O)C(F)(F)F
InChIInChI=1S/C17H29N3O2.C2HF3O2/c1-13(2)19-6-7-20-16(10-18-17(20)14(19)3)12-22-11-15-4-8-21-9-5-15;3-2(4,5)1(6)7/h10,13-15H,4-9,11-12H2,1-3H3;(H,6,7)
InChIKeyPSZCGTUEPFZCIP-UHFFFAOYSA-N
XLogP3.24
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-methyl-3-(oxan-4-ylmethoxymethyl)-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(oxan-4-ylmethoxymethyl)-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 8-methyl-3-(oxan-4-ylmethoxymethyl)-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid (CID 118742734) is 8-methyl-3-(oxan-4-ylmethoxymethyl)-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 8-methyl-3-(oxan-4-ylmethoxymethyl)-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 8-methyl-3-(oxan-4-ylmethoxymethyl)-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid is CC(C)N1CCn2c(COCC3CCOCC3)cnc2C1C.O=C(O)C(F)(F)F.
What is the InChIKey of 8-methyl-3-(oxan-4-ylmethoxymethyl)-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
The InChIKey is PSZCGTUEPFZCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2.C2HF3O2/c1-13(2)19-6-7-20-16(10-18-17(20)14(19)3)12-22-11-15-4-8-21-9-5-15;3-2(4,5)1(6)7/h10,13-15H,4-9,11-12H2,1-3H3;(H,6,7).
What are the key properties of 8-methyl-3-(oxan-4-ylmethoxymethyl)-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
8-methyl-3-(oxan-4-ylmethoxymethyl)-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid has a molecular weight of 421.46 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(oxan-4-ylmethoxymethyl)-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118742734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).