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

C17H23F3N4O3 — CID 118743198

IUPACN-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCc1cnc2n1CCN(CC1CC1)C2)C1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H22N4O.C2HF3O2/c20-15(12-3-4-12)17-8-13-7-16-14-10-18(5-6-19(13)14)9-11-1-2-11;3-2(4,5)1(6)7/h7,11-12H,1-6,8-10H2,(H,17,20);(H,6,7)
InChIKeyNSIDDCUDKGXALT-UHFFFAOYSA-N
MW388.39 g/mol
LogP1.77
Rot. Bonds5

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

N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid (PubChem CID 118743198) has the molecular formula C17H23F3N4O3 and a molecular weight of 388.39 g/mol. Its IUPAC name is N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
PubChem CID118743198
Molecular FormulaC17H23F3N4O3
Molecular Weight388.39 g/mol
Exact Mass388.17
IUPAC NameN-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCc1cnc2n1CCN(CC1CC1)C2)C1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H22N4O.C2HF3O2/c20-15(12-3-4-12)17-8-13-7-16-14-10-18(5-6-19(13)14)9-11-1-2-11;3-2(4,5)1(6)7/h7,11-12H,1-6,8-10H2,(H,17,20);(H,6,7)
InChIKeyNSIDDCUDKGXALT-UHFFFAOYSA-N
XLogP1.77
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid (CID 118743198) is N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid is O=C(NCc1cnc2n1CCN(CC1CC1)C2)C1CC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is NSIDDCUDKGXALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O.C2HF3O2/c20-15(12-3-4-12)17-8-13-7-16-14-10-18(5-6-19(13)14)9-11-1-2-11;3-2(4,5)1(6)7/h7,11-12H,1-6,8-10H2,(H,17,20);(H,6,7).
What are the key properties of N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid?
N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 388.39 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118743198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).