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

C20H29F3N6O3 — CID 155836956

IUPAC8-methyl-N-propan-2-yl-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)NC(=O)c1cn2c(n1)C(C)N(Cc1cnn(C(C)C)c1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C18H28N6O.C2HF3O2/c1-12(2)20-18(25)16-11-23-7-6-22(14(5)17(23)21-16)9-15-8-19-24(10-15)13(3)4;3-2(4,5)1(6)7/h8,10-14H,6-7,9H2,1-5H3,(H,20,25);(H,6,7)
InChIKeyIMJCNLYWKHJMFS-UHFFFAOYSA-N
MW458.49 g/mol
LogP3.01
Rot. Bonds5

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

8-methyl-N-propan-2-yl-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155836956) has the molecular formula C20H29F3N6O3 and a molecular weight of 458.49 g/mol. Its IUPAC name is 8-methyl-N-propan-2-yl-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name8-methyl-N-propan-2-yl-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155836956
Molecular FormulaC20H29F3N6O3
Molecular Weight458.49 g/mol
Exact Mass458.23
IUPAC Name8-methyl-N-propan-2-yl-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)NC(=O)c1cn2c(n1)C(C)N(Cc1cnn(C(C)C)c1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C18H28N6O.C2HF3O2/c1-12(2)20-18(25)16-11-23-7-6-22(14(5)17(23)21-16)9-15-8-19-24(10-15)13(3)4;3-2(4,5)1(6)7/h8,10-14H,6-7,9H2,1-5H3,(H,20,25);(H,6,7)
InChIKeyIMJCNLYWKHJMFS-UHFFFAOYSA-N
XLogP3.01
TPSA105.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-(4-methylpyrazol-1-yl)-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)propanamide
CID 72149681
N-[[7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 97390342
N-[(7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 97467591
1-methyl-N-[[7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide
CID 97467597
N-[[8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
CID 118746367
N-[[7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 118743763
1-methyl-N-[[7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 118743787
N-[[7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid
CID 118744119
1-methyl-N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 118744242
2-cyclopropyl-N-[[7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
CID 118744970
N-cyclopropyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 118744980
N-[(7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]-1-methylpyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 118746210

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-propan-2-yl-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 8-methyl-N-propan-2-yl-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 155836956) is 8-methyl-N-propan-2-yl-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 8-methyl-N-propan-2-yl-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 8-methyl-N-propan-2-yl-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid is CC(C)NC(=O)c1cn2c(n1)C(C)N(Cc1cnn(C(C)C)c1)CC2.O=C(O)C(F)(F)F.
What is the InChIKey of 8-methyl-N-propan-2-yl-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is IMJCNLYWKHJMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O.C2HF3O2/c1-12(2)20-18(25)16-11-23-7-6-22(14(5)17(23)21-16)9-15-8-19-24(10-15)13(3)4;3-2(4,5)1(6)7/h8,10-14H,6-7,9H2,1-5H3,(H,20,25);(H,6,7).
What are the key properties of 8-methyl-N-propan-2-yl-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?
8-methyl-N-propan-2-yl-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 458.49 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-propan-2-yl-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155836956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).