4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,3-thiazol-4-yl)benzamide

C26H27N7O3S — CID 71226558

About 4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,3-thiazol-4-yl)benzamide

4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,3-thiazol-4-yl)benzamide (PubChem CID 71226558) has the molecular formula C26H27N7O3S and a molecular weight of 517.62 g/mol. Its IUPAC name is 4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,3-thiazol-4-yl)benzamide.

Molecular Properties

• Compound Name: 4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,3-thiazol-4-yl)benzamide
• PubChem CID: 71226558
• Molecular Formula: C26H27N7O3S
• Molecular Weight: 517.62 g/mol
• Exact Mass: 517.19
• IUPAC Name: 4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,3-thiazol-4-yl)benzamide
• SMILES: CC1(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C(=O)Nc5cscn5)cc4)c4c(N)nccn34)C2)COC1
• InChI: InChI=1S/C26H27N7O3S/c1-26(13-36-14-26)25(35)32-9-2-3-18(11-32)23-31-20(21-22(27)28-8-10-33(21)23)16-4-6-17(7-5-16)24(34)30-19-12-37-15-29-19/h4-8,10,12,15,18H,2-3,9,11,13-14H2,1H3,(H2,27,28)(H,30,34)/t18-/m1/s1
• InChIKey: GWPFCPBHGVAONT-GOSISDBHSA-N
• XLogP: 3.43
• TPSA: 127.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.62
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,3-thiazol-4-yl)benzamide?

The IUPAC name of 4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,3-thiazol-4-yl)benzamide (CID 71226558) is 4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,3-thiazol-4-yl)benzamide.

What is the SMILES notation for 4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,3-thiazol-4-yl)benzamide?

The canonical SMILES for 4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,3-thiazol-4-yl)benzamide is CC1(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C(=O)Nc5cscn5)cc4)c4c(N)nccn34)C2)COC1.

What is the InChIKey of 4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,3-thiazol-4-yl)benzamide?

The InChIKey is GWPFCPBHGVAONT-GOSISDBHSA-N. The full InChI is InChI=1S/C26H27N7O3S/c1-26(13-36-14-26)25(35)32-9-2-3-18(11-32)23-31-20(21-22(27)28-8-10-33(21)23)16-4-6-17(7-5-16)24(34)30-19-12-37-15-29-19/h4-8,10,12,15,18H,2-3,9,11,13-14H2,1H3,(H2,27,28)(H,30,34)/t18-/m1/s1.

What are the key properties of 4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,3-thiazol-4-yl)benzamide?

4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,3-thiazol-4-yl)benzamide has a molecular weight of 517.62 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 71226558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).