1'-(cyclopropylmethyl)-3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)

C22H29F9N4O6 — CID 118747019

IUPAC1'-(cyclopropylmethyl)-3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
SMILESCc1cnc2n1CCN(C)C21CCN(CC2CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C16H26N4.3C2HF3O2/c1-13-11-17-15-16(18(2)9-10-20(13)15)5-7-19(8-6-16)12-14-3-4-14;3*3-2(4,5)1(6)7/h11,14H,3-10,12H2,1-2H3;3*(H,6,7)
InChIKeyYRBJBNMWQJWIHV-UHFFFAOYSA-N
MW616.48 g/mol
LogP3.74
Rot. Bonds2

About 1'-(cyclopropylmethyl)-3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)

1'-(cyclopropylmethyl)-3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) (PubChem CID 118747019) has the molecular formula C22H29F9N4O6 and a molecular weight of 616.48 g/mol. Its IUPAC name is 1'-(cyclopropylmethyl)-3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name1'-(cyclopropylmethyl)-3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
PubChem CID118747019
Molecular FormulaC22H29F9N4O6
Molecular Weight616.48 g/mol
Exact Mass616.19
IUPAC Name1'-(cyclopropylmethyl)-3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
SMILESCc1cnc2n1CCN(C)C21CCN(CC2CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C16H26N4.3C2HF3O2/c1-13-11-17-15-16(18(2)9-10-20(13)15)5-7-19(8-6-16)12-14-3-4-14;3*3-2(4,5)1(6)7/h11,14H,3-10,12H2,1-2H3;3*(H,6,7)
InChIKeyYRBJBNMWQJWIHV-UHFFFAOYSA-N
XLogP3.74
TPSA136.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500616.48
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1'-(cyclopropylmethyl)-3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)?
The IUPAC name of 1'-(cyclopropylmethyl)-3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) (CID 118747019) is 1'-(cyclopropylmethyl)-3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 1'-(cyclopropylmethyl)-3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 1'-(cyclopropylmethyl)-3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) is Cc1cnc2n1CCN(C)C21CCN(CC2CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 1'-(cyclopropylmethyl)-3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)?
The InChIKey is YRBJBNMWQJWIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4.3C2HF3O2/c1-13-11-17-15-16(18(2)9-10-20(13)15)5-7-19(8-6-16)12-14-3-4-14;3*3-2(4,5)1(6)7/h11,14H,3-10,12H2,1-2H3;3*(H,6,7).
What are the key properties of 1'-(cyclopropylmethyl)-3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid)?
1'-(cyclopropylmethyl)-3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) has a molecular weight of 616.48 g/mol, XLogP of 3.74, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclopropylmethyl)-3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118747019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).