ethyl 2-[[3-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxylate

C30H33N7O3 — CID 71222924

About ethyl 2-[[3-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxylate

ethyl 2-[[3-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxylate (PubChem CID 71222924) has the molecular formula C30H33N7O3 and a molecular weight of 539.64 g/mol. Its IUPAC name is ethyl 2-[[3-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-[[3-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxylate
• PubChem CID: 71222924
• Molecular Formula: C30H33N7O3
• Molecular Weight: 539.64 g/mol
• Exact Mass: 539.26
• IUPAC Name: ethyl 2-[[3-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxylate
• SMILES: CCOC(=O)C1CC1CN1CCCC(c2nc(-c3ccc(C(=O)Nc4ccccn4)cc3)c3c(N)nccn23)C1
• InChI: InChI=1S/C30H33N7O3/c1-2-40-30(39)23-16-22(23)18-36-14-5-6-21(17-36)28-35-25(26-27(31)33-13-15-37(26)28)19-8-10-20(11-9-19)29(38)34-24-7-3-4-12-32-24/h3-4,7-13,15,21-23H,2,5-6,14,16-18H2,1H3,(H2,31,33)(H,32,34,38)
• InChIKey: AKLMDLYBAHTWSL-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 127.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.64
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxylate?

The IUPAC name of ethyl 2-[[3-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxylate (CID 71222924) is ethyl 2-[[3-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxylate.

What is the SMILES notation for ethyl 2-[[3-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxylate?

The canonical SMILES for ethyl 2-[[3-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxylate is CCOC(=O)C1CC1CN1CCCC(c2nc(-c3ccc(C(=O)Nc4ccccn4)cc3)c3c(N)nccn23)C1.

What is the InChIKey of ethyl 2-[[3-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxylate?

The InChIKey is AKLMDLYBAHTWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O3/c1-2-40-30(39)23-16-22(23)18-36-14-5-6-21(17-36)28-35-25(26-27(31)33-13-15-37(26)28)19-8-10-20(11-9-19)29(38)34-24-7-3-4-12-32-24/h3-4,7-13,15,21-23H,2,5-6,14,16-18H2,1H3,(H2,31,33)(H,32,34,38).

What are the key properties of ethyl 2-[[3-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxylate?

ethyl 2-[[3-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxylate has a molecular weight of 539.64 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[[3-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 71222924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).