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)

C18H22F6N6O5 — CID 118746210

IUPACN-[(7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]-1-methylpyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESCCN1CCn2cc(CNC(=O)c3cnn(C)c3)nc2C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C14H20N6O.2C2HF3O2/c1-3-19-4-5-20-9-12(17-13(20)10-19)7-15-14(21)11-6-16-18(2)8-11;2*3-2(4,5)1(6)7/h6,8-9H,3-5,7,10H2,1-2H3,(H,15,21);2*(H,6,7)
InChIKeyMGTKOLLPHQMUIJ-UHFFFAOYSA-N
MW516.40 g/mol
LogP1.65
Rot. Bonds4

About 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)

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) (PubChem CID 118746210) has the molecular formula C18H22F6N6O5 and a molecular weight of 516.40 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound NameN-[(7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]-1-methylpyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID118746210
Molecular FormulaC18H22F6N6O5
Molecular Weight516.40 g/mol
Exact Mass516.16
IUPAC NameN-[(7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]-1-methylpyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESCCN1CCn2cc(CNC(=O)c3cnn(C)c3)nc2C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C14H20N6O.2C2HF3O2/c1-3-19-4-5-20-9-12(17-13(20)10-19)7-15-14(21)11-6-16-18(2)8-11;2*3-2(4,5)1(6)7/h6,8-9H,3-5,7,10H2,1-2H3,(H,15,21);2*(H,6,7)
InChIKeyMGTKOLLPHQMUIJ-UHFFFAOYSA-N
XLogP1.65
TPSA142.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.40
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 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) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CCN1CCn2cc(CNC(=O)c3cnn(C)c3)nc2C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 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)?
The InChIKey is MGTKOLLPHQMUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O.2C2HF3O2/c1-3-19-4-5-20-9-12(17-13(20)10-19)7-15-14(21)11-6-16-18(2)8-11;2*3-2(4,5)1(6)7/h6,8-9H,3-5,7,10H2,1-2H3,(H,15,21);2*(H,6,7).
What are the key properties of 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)?
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) has a molecular weight of 516.40 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 118746210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).