3,4-dihydro-1H-isoquinolin-2-yl-[(6S)-6-(2,5-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone

C25H27N3O3 — CID 93013324

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[(6S)-6-(2,5-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone
SMILESCOc1ccc(OC)c([C@@H]2CCc3nc(C(=O)N4CCc5ccccc5C4)cn3C2)c1
InChIInChI=1S/C25H27N3O3/c1-30-20-8-9-23(31-2)21(13-20)19-7-10-24-26-22(16-28(24)15-19)25(29)27-12-11-17-5-3-4-6-18(17)14-27/h3-6,8-9,13,16,19H,7,10-12,14-15H2,1-2H3/t19-/m1/s1
InChIKeyAOLPKOBHEIZWAO-LJQANCHMSA-N
MW417.51 g/mol
LogP3.83
Rot. Bonds4

About 3,4-dihydro-1H-isoquinolin-2-yl-[(6S)-6-(2,5-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[(6S)-6-(2,5-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone (PubChem CID 93013324) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[(6S)-6-(2,5-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[(6S)-6-(2,5-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone
PubChem CID93013324
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[(6S)-6-(2,5-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone
SMILESCOc1ccc(OC)c([C@@H]2CCc3nc(C(=O)N4CCc5ccccc5C4)cn3C2)c1
InChIInChI=1S/C25H27N3O3/c1-30-20-8-9-23(31-2)21(13-20)19-7-10-24-26-22(16-28(24)15-19)25(29)27-12-11-17-5-3-4-6-18(17)14-27/h3-6,8-9,13,16,19H,7,10-12,14-15H2,1-2H3/t19-/m1/s1
InChIKeyAOLPKOBHEIZWAO-LJQANCHMSA-N
XLogP3.83
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,4-dihydro-1H-isoquinolin-2-yl-[(6S)-6-(2,5-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone 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

[6-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 46081107
[(6R)-6-(2,4-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 93013400
[(6R)-6-(5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 93013303
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 46615044
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-pyridazin-3-ylmethanone
CID 70783397
3,4-dihydro-1H-isoquinolin-2-yl-(3-methoxynaphthalen-2-yl)methanone
CID 9113222
1-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 42681566
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 70755395
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109087925
[1-(2,4-dichlorobenzoyl)-4-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 42681573
[(6S)-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 93013241
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-(2,5-dimethoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 42681828

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[(6S)-6-(2,5-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[(6S)-6-(2,5-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone (CID 93013324) is 3,4-dihydro-1H-isoquinolin-2-yl-[(6S)-6-(2,5-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[(6S)-6-(2,5-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[(6S)-6-(2,5-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone is COc1ccc(OC)c([C@@H]2CCc3nc(C(=O)N4CCc5ccccc5C4)cn3C2)c1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[(6S)-6-(2,5-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone?
The InChIKey is AOLPKOBHEIZWAO-LJQANCHMSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-30-20-8-9-23(31-2)21(13-20)19-7-10-24-26-22(16-28(24)15-19)25(29)27-12-11-17-5-3-4-6-18(17)14-27/h3-6,8-9,13,16,19H,7,10-12,14-15H2,1-2H3/t19-/m1/s1.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[(6S)-6-(2,5-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[(6S)-6-(2,5-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone has a molecular weight of 417.51 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[(6S)-6-(2,5-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone is sourced from PubChem (CID 93013324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).