N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid

C18H22F3N5O3S — CID 118743434

IUPACN-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCc1cn2c(n1)CN(Cc1nccs1)CC2)C1CCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H21N5OS.C2HF3O2/c22-16(12-2-1-3-12)18-8-13-9-21-6-5-20(10-14(21)19-13)11-15-17-4-7-23-15;3-2(4,5)1(6)7/h4,7,9,12H,1-3,5-6,8,10-11H2,(H,18,22);(H,6,7)
InChIKeyONKQFZWSBXROKR-UHFFFAOYSA-N
MW445.47 g/mol
LogP2.40
Rot. Bonds5

About N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid

N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid (PubChem CID 118743434) has the molecular formula C18H22F3N5O3S and a molecular weight of 445.47 g/mol. Its IUPAC name is N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid
PubChem CID118743434
Molecular FormulaC18H22F3N5O3S
Molecular Weight445.47 g/mol
Exact Mass445.14
IUPAC NameN-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCc1cn2c(n1)CN(Cc1nccs1)CC2)C1CCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H21N5OS.C2HF3O2/c22-16(12-2-1-3-12)18-8-13-9-21-6-5-20(10-14(21)19-13)11-15-17-4-7-23-15;3-2(4,5)1(6)7/h4,7,9,12H,1-3,5-6,8,10-11H2,(H,18,22);(H,6,7)
InChIKeyONKQFZWSBXROKR-UHFFFAOYSA-N
XLogP2.40
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.47
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid (CID 118743434) is N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid is O=C(NCc1cn2c(n1)CN(Cc1nccs1)CC2)C1CCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is ONKQFZWSBXROKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS.C2HF3O2/c22-16(12-2-1-3-12)18-8-13-9-21-6-5-20(10-14(21)19-13)11-15-17-4-7-23-15;3-2(4,5)1(6)7/h4,7,9,12H,1-3,5-6,8,10-11H2,(H,18,22);(H,6,7).
What are the key properties of N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid?
N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 445.47 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118743434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).