[4-[[2-(aminomethyl)phenyl]methyl]-3-hydroxypiperidin-1-yl]-[8-ethyl-6-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methanone;methanol

C30H39N7O3 — CID 156793338

About [4-[[2-(aminomethyl)phenyl]methyl]-3-hydroxypiperidin-1-yl]-[8-ethyl-6-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methanone;methanol

[4-[[2-(aminomethyl)phenyl]methyl]-3-hydroxypiperidin-1-yl]-[8-ethyl-6-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methanone;methanol (PubChem CID 156793338) has the molecular formula C30H39N7O3 and a molecular weight of 545.69 g/mol. Its IUPAC name is [4-[[2-(aminomethyl)phenyl]methyl]-3-hydroxypiperidin-1-yl]-[8-ethyl-6-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methanone;methanol.

Molecular Properties

• Compound Name: [4-[[2-(aminomethyl)phenyl]methyl]-3-hydroxypiperidin-1-yl]-[8-ethyl-6-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methanone;methanol
• PubChem CID: 156793338
• Molecular Formula: C30H39N7O3
• Molecular Weight: 545.69 g/mol
• Exact Mass: 545.31
• IUPAC Name: [4-[[2-(aminomethyl)phenyl]methyl]-3-hydroxypiperidin-1-yl]-[8-ethyl-6-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methanone;methanol
• SMILES: CCc1cc(N2Cc3cnn(C)c3C2)cn2cc(C(=O)N3CCC(Cc4ccccc4CN)C(O)C3)nc12.CO
• InChI: InChI=1S/C29H35N7O2.CH4O/c1-3-19-11-24(35-14-23-13-31-33(2)26(23)17-35)15-36-16-25(32-28(19)36)29(38)34-9-8-21(27(37)18-34)10-20-6-4-5-7-22(20)12-30;1-2/h4-7,11,13,15-16,21,27,37H,3,8-10,12,14,17-18,30H2,1-2H3;2H,1H3
• InChIKey: MCZLEBJGWGYENR-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 125.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.69
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(aminomethyl)phenyl]methyl]-3-hydroxypiperidin-1-yl]-[8-ethyl-6-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methanone;methanol?

The IUPAC name of [4-[[2-(aminomethyl)phenyl]methyl]-3-hydroxypiperidin-1-yl]-[8-ethyl-6-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methanone;methanol (CID 156793338) is [4-[[2-(aminomethyl)phenyl]methyl]-3-hydroxypiperidin-1-yl]-[8-ethyl-6-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methanone;methanol.

What is the SMILES notation for [4-[[2-(aminomethyl)phenyl]methyl]-3-hydroxypiperidin-1-yl]-[8-ethyl-6-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methanone;methanol?

The canonical SMILES for [4-[[2-(aminomethyl)phenyl]methyl]-3-hydroxypiperidin-1-yl]-[8-ethyl-6-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methanone;methanol is CCc1cc(N2Cc3cnn(C)c3C2)cn2cc(C(=O)N3CCC(Cc4ccccc4CN)C(O)C3)nc12.CO.

What is the InChIKey of [4-[[2-(aminomethyl)phenyl]methyl]-3-hydroxypiperidin-1-yl]-[8-ethyl-6-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methanone;methanol?

The InChIKey is MCZLEBJGWGYENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N7O2.CH4O/c1-3-19-11-24(35-14-23-13-31-33(2)26(23)17-35)15-36-16-25(32-28(19)36)29(38)34-9-8-21(27(37)18-34)10-20-6-4-5-7-22(20)12-30;1-2/h4-7,11,13,15-16,21,27,37H,3,8-10,12,14,17-18,30H2,1-2H3;2H,1H3.

What are the key properties of [4-[[2-(aminomethyl)phenyl]methyl]-3-hydroxypiperidin-1-yl]-[8-ethyl-6-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methanone;methanol?

[4-[[2-(aminomethyl)phenyl]methyl]-3-hydroxypiperidin-1-yl]-[8-ethyl-6-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methanone;methanol has a molecular weight of 545.69 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[2-(aminomethyl)phenyl]methyl]-3-hydroxypiperidin-1-yl]-[8-ethyl-6-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methanone;methanol is sourced from PubChem (CID 156793338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).