4-[8-amino-3-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide

C30H30N8O — CID 90323720

About 4-[8-amino-3-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide

4-[8-amino-3-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide (PubChem CID 90323720) has the molecular formula C30H30N8O and a molecular weight of 518.63 g/mol. Its IUPAC name is 4-[8-amino-3-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide.

Molecular Properties

• Compound Name: 4-[8-amino-3-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide
• PubChem CID: 90323720
• Molecular Formula: C30H30N8O
• Molecular Weight: 518.63 g/mol
• Exact Mass: 518.25
• IUPAC Name: 4-[8-amino-3-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide
• SMILES: Cc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN(Cc5ccncc5)C4)n4ccnc(N)c34)cc2)c1
• InChI: InChI=1S/C30H30N8O/c1-20-8-13-33-25(17-20)35-30(39)23-6-4-22(5-7-23)26-27-28(31)34-14-16-38(27)29(36-26)24-3-2-15-37(19-24)18-21-9-11-32-12-10-21/h4-14,16-17,24H,2-3,15,18-19H2,1H3,(H2,31,34)(H,33,35,39)/t24-/m1/s1
• InChIKey: ZOQUZCMFNUQEEI-XMMPIXPASA-N
• XLogP: 4.71
• TPSA: 114.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.63
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-3-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide?

The IUPAC name of 4-[8-amino-3-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide (CID 90323720) is 4-[8-amino-3-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide.

What is the SMILES notation for 4-[8-amino-3-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide?

The canonical SMILES for 4-[8-amino-3-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide is Cc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN(Cc5ccncc5)C4)n4ccnc(N)c34)cc2)c1.

What is the InChIKey of 4-[8-amino-3-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide?

The InChIKey is ZOQUZCMFNUQEEI-XMMPIXPASA-N. The full InChI is InChI=1S/C30H30N8O/c1-20-8-13-33-25(17-20)35-30(39)23-6-4-22(5-7-23)26-27-28(31)34-14-16-38(27)29(36-26)24-3-2-15-37(19-24)18-21-9-11-32-12-10-21/h4-14,16-17,24H,2-3,15,18-19H2,1H3,(H2,31,34)(H,33,35,39)/t24-/m1/s1.

What are the key properties of 4-[8-amino-3-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide?

4-[8-amino-3-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide has a molecular weight of 518.63 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-amino-3-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 90323720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).