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[2-methyl-1'-(2-methylpropyl)-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]-(5-methylpyrazin-2-yl)methanone;2,2,2-trifluoroacetic acid

C26H37F3N6O3 — CID 155831316

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[2-methyl-1'-(2-methylpropyl)-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]-(5-methylpyrazin-2-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCc1cnc(C(=O)N2Cc3c(nc(C)n3C(C)C)C3(CCN(CC(C)C)CC3)C2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H36N6O.C2HF3O2/c1-16(2)13-28-9-7-24(8-10-28)15-29(23(31)20-12-25-18(5)11-26-20)14-21-22(24)27-19(6)30(21)17(3)4;3-2(4,5)1(6)7/h11-12,16-17H,7-10,13-15H2,1-6H3;(H,6,7)
InChIKeyDVIZMVHVFUNLGN-UHFFFAOYSA-N
MW538.62 g/mol
LogP4.15
Rot. Bonds4

About [2-methyl-1'-(2-methylpropyl)-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]-(5-methylpyrazin-2-yl)methanone;2,2,2-trifluoroacetic acid

[2-methyl-1'-(2-methylpropyl)-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]-(5-methylpyrazin-2-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155831316) has the molecular formula C26H37F3N6O3 and a molecular weight of 538.62 g/mol. Its IUPAC name is [2-methyl-1'-(2-methylpropyl)-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]-(5-methylpyrazin-2-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[2-methyl-1'-(2-methylpropyl)-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]-(5-methylpyrazin-2-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID155831316
Molecular FormulaC26H37F3N6O3
Molecular Weight538.62 g/mol
Exact Mass538.29
IUPAC Name[2-methyl-1'-(2-methylpropyl)-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]-(5-methylpyrazin-2-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCc1cnc(C(=O)N2Cc3c(nc(C)n3C(C)C)C3(CCN(CC(C)C)CC3)C2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H36N6O.C2HF3O2/c1-16(2)13-28-9-7-24(8-10-28)15-29(23(31)20-12-25-18(5)11-26-20)14-21-22(24)27-19(6)30(21)17(3)4;3-2(4,5)1(6)7/h11-12,16-17H,7-10,13-15H2,1-6H3;(H,6,7)
InChIKeyDVIZMVHVFUNLGN-UHFFFAOYSA-N
XLogP4.15
TPSA104.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.62
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-methyl-1'-(2-methylpropyl)-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]-(5-methylpyrazin-2-yl)methanone;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-1'-(2-methylpropyl)-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]-(5-methylpyrazin-2-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [2-methyl-1'-(2-methylpropyl)-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]-(5-methylpyrazin-2-yl)methanone;2,2,2-trifluoroacetic acid (CID 155831316) is [2-methyl-1'-(2-methylpropyl)-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]-(5-methylpyrazin-2-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [2-methyl-1'-(2-methylpropyl)-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]-(5-methylpyrazin-2-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [2-methyl-1'-(2-methylpropyl)-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]-(5-methylpyrazin-2-yl)methanone;2,2,2-trifluoroacetic acid is Cc1cnc(C(=O)N2Cc3c(nc(C)n3C(C)C)C3(CCN(CC(C)C)CC3)C2)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of [2-methyl-1'-(2-methylpropyl)-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]-(5-methylpyrazin-2-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is DVIZMVHVFUNLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O.C2HF3O2/c1-16(2)13-28-9-7-24(8-10-28)15-29(23(31)20-12-25-18(5)11-26-20)14-21-22(24)27-19(6)30(21)17(3)4;3-2(4,5)1(6)7/h11-12,16-17H,7-10,13-15H2,1-6H3;(H,6,7).
What are the key properties of [2-methyl-1'-(2-methylpropyl)-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]-(5-methylpyrazin-2-yl)methanone;2,2,2-trifluoroacetic acid?
[2-methyl-1'-(2-methylpropyl)-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]-(5-methylpyrazin-2-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 538.62 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1'-(2-methylpropyl)-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]-(5-methylpyrazin-2-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155831316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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