tert-butyl 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;ethane

C30H36N8O4 — CID 156651317

About tert-butyl 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;ethane

tert-butyl 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;ethane (PubChem CID 156651317) has the molecular formula C30H36N8O4 and a molecular weight of 572.67 g/mol. Its IUPAC name is tert-butyl 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;ethane.

Molecular Properties

• Compound Name: tert-butyl 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;ethane
• PubChem CID: 156651317
• Molecular Formula: C30H36N8O4
• Molecular Weight: 572.67 g/mol
• Exact Mass: 572.29
• IUPAC Name: tert-butyl 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;ethane
• SMILES: CC.CC(C)(C)OC(=O)N1Cc2c(-c3cncc4nccn34)ncc(Nc3ccc(N4CCC(O)CC4)cn3)c2C1=O
• InChI: InChI=1S/C28H30N8O4.C2H6/c1-28(2,3)40-27(39)36-16-19-24(26(36)38)20(13-32-25(19)21-14-29-15-23-30-8-11-35(21)23)33-22-5-4-17(12-31-22)34-9-6-18(37)7-10-34;1-2/h4-5,8,11-15,18,37H,6-7,9-10,16H2,1-3H3,(H,31,33);1-2H3
• InChIKey: ANDRVSHUNGYLIQ-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 138.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.67
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;ethane?

The IUPAC name of tert-butyl 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;ethane (CID 156651317) is tert-butyl 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;ethane.

What is the SMILES notation for tert-butyl 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;ethane?

The canonical SMILES for tert-butyl 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;ethane is CC.CC(C)(C)OC(=O)N1Cc2c(-c3cncc4nccn34)ncc(Nc3ccc(N4CCC(O)CC4)cn3)c2C1=O.

What is the InChIKey of tert-butyl 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;ethane?

The InChIKey is ANDRVSHUNGYLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N8O4.C2H6/c1-28(2,3)40-27(39)36-16-19-24(26(36)38)20(13-32-25(19)21-14-29-15-23-30-8-11-35(21)23)33-22-5-4-17(12-31-22)34-9-6-18(37)7-10-34;1-2/h4-5,8,11-15,18,37H,6-7,9-10,16H2,1-3H3,(H,31,33);1-2H3.

What are the key properties of tert-butyl 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;ethane?

tert-butyl 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;ethane has a molecular weight of 572.67 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;ethane is sourced from PubChem (CID 156651317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).