N-[(4-fluorophenyl)methyl]-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C27H25FN4O3S — CID 53049256

About N-[(4-fluorophenyl)methyl]-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

N-[(4-fluorophenyl)methyl]-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 53049256) has the molecular formula C27H25FN4O3S and a molecular weight of 504.59 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methyl]-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 53049256
• Molecular Formula: C27H25FN4O3S
• Molecular Weight: 504.59 g/mol
• Exact Mass: 504.16
• IUPAC Name: N-[(4-fluorophenyl)methyl]-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: COc1cccc(CN2C(=O)c3cc(-c4cccs4)nn3CC2(C)C(=O)NCc2ccc(F)cc2)c1
• InChI: InChI=1S/C27H25FN4O3S/c1-27(26(34)29-15-18-8-10-20(28)11-9-18)17-32-23(14-22(30-32)24-7-4-12-36-24)25(33)31(27)16-19-5-3-6-21(13-19)35-2/h3-14H,15-17H2,1-2H3,(H,29,34)
• InChIKey: ICABAZBZEZPCHJ-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.59
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The IUPAC name of N-[(4-fluorophenyl)methyl]-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 53049256) is N-[(4-fluorophenyl)methyl]-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is COc1cccc(CN2C(=O)c3cc(-c4cccs4)nn3CC2(C)C(=O)NCc2ccc(F)cc2)c1.

What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The InChIKey is ICABAZBZEZPCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O3S/c1-27(26(34)29-15-18-8-10-20(28)11-9-18)17-32-23(14-22(30-32)24-7-4-12-36-24)25(33)31(27)16-19-5-3-6-21(13-19)35-2/h3-14H,15-17H2,1-2H3,(H,29,34).

What are the key properties of N-[(4-fluorophenyl)methyl]-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

N-[(4-fluorophenyl)methyl]-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 504.59 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)methyl]-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 53049256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).