2-(3-methoxyphenyl)-1-[3-(4-methoxyphenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]ethanone

C27H32N4O3 — CID 97440556

IUPAC2-(3-methoxyphenyl)-1-[3-(4-methoxyphenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]ethanone
SMILESCOc1ccc(-c2cnc3n2CCN(C)C32CCN(C(=O)Cc3cccc(OC)c3)CC2)cc1
InChIInChI=1S/C27H32N4O3/c1-29-15-16-31-24(21-7-9-22(33-2)10-8-21)19-28-26(31)27(29)11-13-30(14-12-27)25(32)18-20-5-4-6-23(17-20)34-3/h4-10,17,19H,11-16,18H2,1-3H3
InChIKeyHPRVBAGFOSTHGZ-UHFFFAOYSA-N
MW460.58 g/mol
LogP3.57
Rot. Bonds5

About 2-(3-methoxyphenyl)-1-[3-(4-methoxyphenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]ethanone

2-(3-methoxyphenyl)-1-[3-(4-methoxyphenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]ethanone (PubChem CID 97440556) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-[3-(4-methoxyphenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]ethanone.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-[3-(4-methoxyphenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]ethanone
PubChem CID97440556
Molecular FormulaC27H32N4O3
Molecular Weight460.58 g/mol
Exact Mass460.25
IUPAC Name2-(3-methoxyphenyl)-1-[3-(4-methoxyphenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]ethanone
SMILESCOc1ccc(-c2cnc3n2CCN(C)C32CCN(C(=O)Cc3cccc(OC)c3)CC2)cc1
InChIInChI=1S/C27H32N4O3/c1-29-15-16-31-24(21-7-9-22(33-2)10-8-21)19-28-26(31)27(29)11-13-30(14-12-27)25(32)18-20-5-4-6-23(17-20)34-3/h4-10,17,19H,11-16,18H2,1-3H3
InChIKeyHPRVBAGFOSTHGZ-UHFFFAOYSA-N
XLogP3.57
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3-methoxyphenyl)-1-[3-(4-methoxyphenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(3-fluorophenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-2-pyridin-2-ylethanone
CID 97440483
1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 119306909
2-[[3-(4-methoxyphenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]methyl]-1,3-thiazole
CID 97361100
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
6-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]pyridine-2-carboxylic acid
CID 119182748
N'-hydroxy-1-[2-(3-methoxyphenyl)acetyl]piperidine-4-carboximidamide
CID 77039394
1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817966
2-(3-methoxyphenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone
CID 90510623
8-[2-(3-methoxyphenyl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 110668843
1-[(2S)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone
CID 97475946
1-[(3aS,8aS)-1-methyl-3a-(pyrrolidine-1-carbonyl)-3,4,5,7,8,8a-hexahydro-2H-pyrrolo[2,3-d]azepin-6-yl]-2-(3-methoxyphenyl)ethanone
CID 124820749

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-[3-(4-methoxyphenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]ethanone?
The IUPAC name of 2-(3-methoxyphenyl)-1-[3-(4-methoxyphenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]ethanone (CID 97440556) is 2-(3-methoxyphenyl)-1-[3-(4-methoxyphenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]ethanone.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-[3-(4-methoxyphenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]ethanone?
The canonical SMILES for 2-(3-methoxyphenyl)-1-[3-(4-methoxyphenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]ethanone is COc1ccc(-c2cnc3n2CCN(C)C32CCN(C(=O)Cc3cccc(OC)c3)CC2)cc1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-[3-(4-methoxyphenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]ethanone?
The InChIKey is HPRVBAGFOSTHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3/c1-29-15-16-31-24(21-7-9-22(33-2)10-8-21)19-28-26(31)27(29)11-13-30(14-12-27)25(32)18-20-5-4-6-23(17-20)34-3/h4-10,17,19H,11-16,18H2,1-3H3.
What are the key properties of 2-(3-methoxyphenyl)-1-[3-(4-methoxyphenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]ethanone?
2-(3-methoxyphenyl)-1-[3-(4-methoxyphenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]ethanone has a molecular weight of 460.58 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-[3-(4-methoxyphenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]ethanone is sourced from PubChem (CID 97440556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).