7-(cyclopropylmethyl)-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)

C19H26F6N4O4 — CID 118745836

IUPAC7-(cyclopropylmethyl)-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1c(CN2CCCC2)nc2n1CCN(CC1CC1)C2
InChIInChI=1S/C15H24N4.2C2HF3O2/c1-2-6-17(5-1)10-14-11-19-8-7-18(9-13-3-4-13)12-15(19)16-14;2*3-2(4,5)1(6)7/h11,13H,1-10,12H2;2*(H,6,7)
InChIKeyXEUFSFKLZHGOFM-UHFFFAOYSA-N
MW488.43 g/mol
LogP2.97
Rot. Bonds4

About 7-(cyclopropylmethyl)-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)

7-(cyclopropylmethyl)-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118745836) has the molecular formula C19H26F6N4O4 and a molecular weight of 488.43 g/mol. Its IUPAC name is 7-(cyclopropylmethyl)-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name7-(cyclopropylmethyl)-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
PubChem CID118745836
Molecular FormulaC19H26F6N4O4
Molecular Weight488.43 g/mol
Exact Mass488.19
IUPAC Name7-(cyclopropylmethyl)-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1c(CN2CCCC2)nc2n1CCN(CC1CC1)C2
InChIInChI=1S/C15H24N4.2C2HF3O2/c1-2-6-17(5-1)10-14-11-19-8-7-18(9-13-3-4-13)12-15(19)16-14;2*3-2(4,5)1(6)7/h11,13H,1-10,12H2;2*(H,6,7)
InChIKeyXEUFSFKLZHGOFM-UHFFFAOYSA-N
XLogP2.97
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.43
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethyl)-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 7-(cyclopropylmethyl)-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (CID 118745836) is 7-(cyclopropylmethyl)-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 7-(cyclopropylmethyl)-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 7-(cyclopropylmethyl)-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1c(CN2CCCC2)nc2n1CCN(CC1CC1)C2.
What is the InChIKey of 7-(cyclopropylmethyl)-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is XEUFSFKLZHGOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4.2C2HF3O2/c1-2-6-17(5-1)10-14-11-19-8-7-18(9-13-3-4-13)12-15(19)16-14;2*3-2(4,5)1(6)7/h11,13H,1-10,12H2;2*(H,6,7).
What are the key properties of 7-(cyclopropylmethyl)-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
7-(cyclopropylmethyl)-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 488.43 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethyl)-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118745836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).