[6-(1-methoxyethyl)-8-methylimidazo[1,2-a]pyridin-2-yl]-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone

C25H30N4O2 — CID 156532862

IUPAC[6-(1-methoxyethyl)-8-methylimidazo[1,2-a]pyridin-2-yl]-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone
SMILESCOC(C)c1cc(C)c2nc(C(=O)N3CCC4(CC3)Cc3ccccc3CN4)cn2c1
InChIInChI=1S/C25H30N4O2/c1-17-12-21(18(2)31-3)15-29-16-22(27-23(17)29)24(30)28-10-8-25(9-11-28)13-19-6-4-5-7-20(19)14-26-25/h4-7,12,15-16,18,26H,8-11,13-14H2,1-3H3
InChIKeyDIBGWDNXMIQVMH-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.67
Rot. Bonds3

About [6-(1-methoxyethyl)-8-methylimidazo[1,2-a]pyridin-2-yl]-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone

[6-(1-methoxyethyl)-8-methylimidazo[1,2-a]pyridin-2-yl]-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone (PubChem CID 156532862) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is [6-(1-methoxyethyl)-8-methylimidazo[1,2-a]pyridin-2-yl]-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name[6-(1-methoxyethyl)-8-methylimidazo[1,2-a]pyridin-2-yl]-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone
PubChem CID156532862
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name[6-(1-methoxyethyl)-8-methylimidazo[1,2-a]pyridin-2-yl]-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone
SMILESCOC(C)c1cc(C)c2nc(C(=O)N3CCC4(CC3)Cc3ccccc3CN4)cn2c1
InChIInChI=1S/C25H30N4O2/c1-17-12-21(18(2)31-3)15-29-16-22(27-23(17)29)24(30)28-10-8-25(9-11-28)13-19-6-4-5-7-20(19)14-26-25/h4-7,12,15-16,18,26H,8-11,13-14H2,1-3H3
InChIKeyDIBGWDNXMIQVMH-UHFFFAOYSA-N
XLogP3.67
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(1-methoxyethyl)-8-methylimidazo[1,2-a]pyridin-2-yl]-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone?
The IUPAC name of [6-(1-methoxyethyl)-8-methylimidazo[1,2-a]pyridin-2-yl]-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone (CID 156532862) is [6-(1-methoxyethyl)-8-methylimidazo[1,2-a]pyridin-2-yl]-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for [6-(1-methoxyethyl)-8-methylimidazo[1,2-a]pyridin-2-yl]-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for [6-(1-methoxyethyl)-8-methylimidazo[1,2-a]pyridin-2-yl]-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone is COC(C)c1cc(C)c2nc(C(=O)N3CCC4(CC3)Cc3ccccc3CN4)cn2c1.
What is the InChIKey of [6-(1-methoxyethyl)-8-methylimidazo[1,2-a]pyridin-2-yl]-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone?
The InChIKey is DIBGWDNXMIQVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-17-12-21(18(2)31-3)15-29-16-22(27-23(17)29)24(30)28-10-8-25(9-11-28)13-19-6-4-5-7-20(19)14-26-25/h4-7,12,15-16,18,26H,8-11,13-14H2,1-3H3.
What are the key properties of [6-(1-methoxyethyl)-8-methylimidazo[1,2-a]pyridin-2-yl]-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone?
[6-(1-methoxyethyl)-8-methylimidazo[1,2-a]pyridin-2-yl]-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone has a molecular weight of 418.54 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-methoxyethyl)-8-methylimidazo[1,2-a]pyridin-2-yl]-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 156532862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).