4-[8-amino-3-[4-[(1-hydroxycyclopropanecarbonyl)amino]-1-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide

C30H31N7O3 — CID 167651590

About 4-[8-amino-3-[4-[(1-hydroxycyclopropanecarbonyl)amino]-1-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide

4-[8-amino-3-[4-[(1-hydroxycyclopropanecarbonyl)amino]-1-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide (PubChem CID 167651590) has the molecular formula C30H31N7O3 and a molecular weight of 537.62 g/mol. Its IUPAC name is 4-[8-amino-3-[4-[(1-hydroxycyclopropanecarbonyl)amino]-1-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide.

Molecular Properties

• Compound Name: 4-[8-amino-3-[4-[(1-hydroxycyclopropanecarbonyl)amino]-1-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide
• PubChem CID: 167651590
• Molecular Formula: C30H31N7O3
• Molecular Weight: 537.62 g/mol
• Exact Mass: 537.25
• IUPAC Name: 4-[8-amino-3-[4-[(1-hydroxycyclopropanecarbonyl)amino]-1-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide
• SMILES: Cc1ccnc(NC(=O)c2ccc(-c3nc(C45CCC(NC(=O)C6(O)CC6)(CC4)C5)n4ccnc(N)c34)cc2)c1
• InChI: InChI=1S/C30H31N7O3/c1-18-6-13-32-21(16-18)34-25(38)20-4-2-19(3-5-20)22-23-24(31)33-14-15-37(23)26(35-22)28-7-9-29(17-28,10-8-28)36-27(39)30(40)11-12-30/h2-6,13-16,40H,7-12,17H2,1H3,(H2,31,33)(H,36,39)(H,32,34,38)
• InChIKey: TVLRRDISKCSTGJ-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 147.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.62
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-3-[4-[(1-hydroxycyclopropanecarbonyl)amino]-1-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide?

The IUPAC name of 4-[8-amino-3-[4-[(1-hydroxycyclopropanecarbonyl)amino]-1-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide (CID 167651590) is 4-[8-amino-3-[4-[(1-hydroxycyclopropanecarbonyl)amino]-1-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide.

What is the SMILES notation for 4-[8-amino-3-[4-[(1-hydroxycyclopropanecarbonyl)amino]-1-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide?

The canonical SMILES for 4-[8-amino-3-[4-[(1-hydroxycyclopropanecarbonyl)amino]-1-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide is Cc1ccnc(NC(=O)c2ccc(-c3nc(C45CCC(NC(=O)C6(O)CC6)(CC4)C5)n4ccnc(N)c34)cc2)c1.

What is the InChIKey of 4-[8-amino-3-[4-[(1-hydroxycyclopropanecarbonyl)amino]-1-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide?

The InChIKey is TVLRRDISKCSTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N7O3/c1-18-6-13-32-21(16-18)34-25(38)20-4-2-19(3-5-20)22-23-24(31)33-14-15-37(23)26(35-22)28-7-9-29(17-28,10-8-28)36-27(39)30(40)11-12-30/h2-6,13-16,40H,7-12,17H2,1H3,(H2,31,33)(H,36,39)(H,32,34,38).

What are the key properties of 4-[8-amino-3-[4-[(1-hydroxycyclopropanecarbonyl)amino]-1-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide?

4-[8-amino-3-[4-[(1-hydroxycyclopropanecarbonyl)amino]-1-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide has a molecular weight of 537.62 g/mol, XLogP of 3.53, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-amino-3-[4-[(1-hydroxycyclopropanecarbonyl)amino]-1-bicyclo[2.2.1]heptanyl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 167651590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).