(6R)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-[(4-propan-2-yloxyphenyl)methyl]-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

C29H34FN5O4 — CID 98317998

About (6R)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-[(4-propan-2-yloxyphenyl)methyl]-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

(6R)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-[(4-propan-2-yloxyphenyl)methyl]-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 98317998) has the molecular formula C29H34FN5O4 and a molecular weight of 535.62 g/mol. Its IUPAC name is (6R)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-[(4-propan-2-yloxyphenyl)methyl]-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

• Compound Name: (6R)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-[(4-propan-2-yloxyphenyl)methyl]-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• PubChem CID: 98317998
• Molecular Formula: C29H34FN5O4
• Molecular Weight: 535.62 g/mol
• Exact Mass: 535.26
• IUPAC Name: (6R)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-[(4-propan-2-yloxyphenyl)methyl]-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• SMILES: CCCN1C(=O)c2c(C(=O)NCc3ccc(OC(C)C)cc3)ncn2C[C@]1(C)C(=O)NCc1ccc(F)cc1
• InChI: InChI=1S/C29H34FN5O4/c1-5-14-35-27(37)25-24(26(36)31-15-21-8-12-23(13-9-21)39-19(2)3)33-18-34(25)17-29(35,4)28(38)32-16-20-6-10-22(30)11-7-20/h6-13,18-19H,5,14-17H2,1-4H3,(H,31,36)(H,32,38)/t29-/m1/s1
• InChIKey: XFHRHCKAMAHSMF-GDLZYMKVSA-N
• XLogP: 3.68
• TPSA: 105.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.62
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (6R)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-[(4-propan-2-yloxyphenyl)methyl]-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The IUPAC name of (6R)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-[(4-propan-2-yloxyphenyl)methyl]-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 98317998) is (6R)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-[(4-propan-2-yloxyphenyl)methyl]-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

What is the SMILES notation for (6R)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-[(4-propan-2-yloxyphenyl)methyl]-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The canonical SMILES for (6R)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-[(4-propan-2-yloxyphenyl)methyl]-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is CCCN1C(=O)c2c(C(=O)NCc3ccc(OC(C)C)cc3)ncn2C[C@]1(C)C(=O)NCc1ccc(F)cc1.

What is the InChIKey of (6R)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-[(4-propan-2-yloxyphenyl)methyl]-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The InChIKey is XFHRHCKAMAHSMF-GDLZYMKVSA-N. The full InChI is InChI=1S/C29H34FN5O4/c1-5-14-35-27(37)25-24(26(36)31-15-21-8-12-23(13-9-21)39-19(2)3)33-18-34(25)17-29(35,4)28(38)32-16-20-6-10-22(30)11-7-20/h6-13,18-19H,5,14-17H2,1-4H3,(H,31,36)(H,32,38)/t29-/m1/s1.

What are the key properties of (6R)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-[(4-propan-2-yloxyphenyl)methyl]-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

(6R)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-[(4-propan-2-yloxyphenyl)methyl]-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 535.62 g/mol, XLogP of 3.68, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-[(4-propan-2-yloxyphenyl)methyl]-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 98317998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).