6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

C27H30FN5O4 — CID 46278980

About 6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 46278980) has the molecular formula C27H30FN5O4 and a molecular weight of 507.57 g/mol. Its IUPAC name is 6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

• Compound Name: 6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
• PubChem CID: 46278980
• Molecular Formula: C27H30FN5O4
• Molecular Weight: 507.57 g/mol
• Exact Mass: 507.23
• IUPAC Name: 6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
• SMILES: CC(C)Oc1ccc(CNC(=O)c2cc3n(n2)CC(C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)cc1
• InChI: InChI=1S/C27H30FN5O4/c1-17(2)37-21-11-7-19(8-12-21)14-29-24(34)22-13-23-25(35)32(4)27(3,16-33(23)31-22)26(36)30-15-18-5-9-20(28)10-6-18/h5-13,17H,14-16H2,1-4H3,(H,29,34)(H,30,36)
• InChIKey: BDIQNKQIJDKZHH-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 105.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.57
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 46278980) is 6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

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

The canonical SMILES for 6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CC(C)Oc1ccc(CNC(=O)c2cc3n(n2)CC(C)(C(=O)NCc2ccc(F)cc2)N(C)C3=O)cc1.

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

The InChIKey is BDIQNKQIJDKZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN5O4/c1-17(2)37-21-11-7-19(8-12-21)14-29-24(34)22-13-23-25(35)32(4)27(3,16-33(23)31-22)26(36)30-15-18-5-9-20(28)10-6-18/h5-13,17H,14-16H2,1-4H3,(H,29,34)(H,30,36).

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

6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 507.57 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-2-N-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 46278980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).