N-[4-[8-amino-5-[(4R)-4-aminocyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-1-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide

C26H30FN7O2S2 — CID 172826191

About N-[4-[8-amino-5-[(4R)-4-aminocyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-1-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide

N-[4-[8-amino-5-[(4R)-4-aminocyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-1-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide (PubChem CID 172826191) has the molecular formula C26H30FN7O2S2 and a molecular weight of 555.71 g/mol. Its IUPAC name is N-[4-[8-amino-5-[(4R)-4-aminocyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-1-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide.

Molecular Properties

• Compound Name: N-[4-[8-amino-5-[(4R)-4-aminocyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-1-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide
• PubChem CID: 172826191
• Molecular Formula: C26H30FN7O2S2
• Molecular Weight: 555.71 g/mol
• Exact Mass: 555.19
• IUPAC Name: N-[4-[8-amino-5-[(4R)-4-aminocyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-1-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide
• SMILES: Cc1nc(CS(=O)(=O)Nc2ccc(-c3nc(C(C)C)n4c(C5=CC[C@H](N)CC5)cnc(N)c34)cc2F)cs1
• InChI: InChI=1S/C26H30FN7O2S2/c1-14(2)26-32-23(24-25(29)30-11-22(34(24)26)16-4-7-18(28)8-5-16)17-6-9-21(20(27)10-17)33-38(35,36)13-19-12-37-15(3)31-19/h4,6,9-12,14,18,33H,5,7-8,13,28H2,1-3H3,(H2,29,30)/t18-/m0/s1
• InChIKey: UWWSVTMJTMBBAW-SFHVURJKSA-N
• XLogP: 4.84
• TPSA: 141.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.71
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-[8-amino-5-[(4R)-4-aminocyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-1-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide?

The IUPAC name of N-[4-[8-amino-5-[(4R)-4-aminocyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-1-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide (CID 172826191) is N-[4-[8-amino-5-[(4R)-4-aminocyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-1-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide.

What is the SMILES notation for N-[4-[8-amino-5-[(4R)-4-aminocyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-1-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide?

The canonical SMILES for N-[4-[8-amino-5-[(4R)-4-aminocyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-1-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide is Cc1nc(CS(=O)(=O)Nc2ccc(-c3nc(C(C)C)n4c(C5=CC[C@H](N)CC5)cnc(N)c34)cc2F)cs1.

What is the InChIKey of N-[4-[8-amino-5-[(4R)-4-aminocyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-1-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide?

The InChIKey is UWWSVTMJTMBBAW-SFHVURJKSA-N. The full InChI is InChI=1S/C26H30FN7O2S2/c1-14(2)26-32-23(24-25(29)30-11-22(34(24)26)16-4-7-18(28)8-5-16)17-6-9-21(20(27)10-17)33-38(35,36)13-19-12-37-15(3)31-19/h4,6,9-12,14,18,33H,5,7-8,13,28H2,1-3H3,(H2,29,30)/t18-/m0/s1.

What are the key properties of N-[4-[8-amino-5-[(4R)-4-aminocyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-1-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide?

N-[4-[8-amino-5-[(4R)-4-aminocyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-1-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide has a molecular weight of 555.71 g/mol, XLogP of 4.84, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[8-amino-5-[(4R)-4-aminocyclohexen-1-yl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-1-(2-methyl-1,3-thiazol-4-yl)methanesulfonamide is sourced from PubChem (CID 172826191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).