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

C18H30F3N5O3 — CID 155823413

IUPAC8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)NC(=O)N1CCn2c(CN(C)C(C)C)cnc2C1C.O=C(O)C(F)(F)F
InChIInChI=1S/C16H29N5O.C2HF3O2/c1-11(2)18-16(22)20-7-8-21-14(10-19(6)12(3)4)9-17-15(21)13(20)5;3-2(4,5)1(6)7/h9,11-13H,7-8,10H2,1-6H3,(H,18,22);(H,6,7)
InChIKeyXOHAKKIDXULDQC-UHFFFAOYSA-N
MW421.46 g/mol
LogP2.85
Rot. Bonds4

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

8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155823413) has the molecular formula C18H30F3N5O3 and a molecular weight of 421.46 g/mol. Its IUPAC name is 8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155823413
Molecular FormulaC18H30F3N5O3
Molecular Weight421.46 g/mol
Exact Mass421.23
IUPAC Name8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)NC(=O)N1CCn2c(CN(C)C(C)C)cnc2C1C.O=C(O)C(F)(F)F
InChIInChI=1S/C16H29N5O.C2HF3O2/c1-11(2)18-16(22)20-7-8-21-14(10-19(6)12(3)4)9-17-15(21)13(20)5;3-2(4,5)1(6)7/h9,11-13H,7-8,10H2,1-6H3,(H,18,22);(H,6,7)
InChIKeyXOHAKKIDXULDQC-UHFFFAOYSA-N
XLogP2.85
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid (CID 155823413) is 8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid is CC(C)NC(=O)N1CCn2c(CN(C)C(C)C)cnc2C1C.O=C(O)C(F)(F)F.
What is the InChIKey of 8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is XOHAKKIDXULDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O.C2HF3O2/c1-11(2)18-16(22)20-7-8-21-14(10-19(6)12(3)4)9-17-15(21)13(20)5;3-2(4,5)1(6)7/h9,11-13H,7-8,10H2,1-6H3,(H,18,22);(H,6,7).
What are the key properties of 8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid?
8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 421.46 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[[methyl(propan-2-yl)amino]methyl]-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155823413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).