(6S)-N-(3-cyano-4-methoxyphenyl)-6-methyl-4-oxo-5-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide

C24H20F3N5O3 — CID 170713202

About (6S)-N-(3-cyano-4-methoxyphenyl)-6-methyl-4-oxo-5-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide

(6S)-N-(3-cyano-4-methoxyphenyl)-6-methyl-4-oxo-5-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 170713202) has the molecular formula C24H20F3N5O3 and a molecular weight of 483.45 g/mol. Its IUPAC name is (6S)-N-(3-cyano-4-methoxyphenyl)-6-methyl-4-oxo-5-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

• Compound Name: (6S)-N-(3-cyano-4-methoxyphenyl)-6-methyl-4-oxo-5-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
• PubChem CID: 170713202
• Molecular Formula: C24H20F3N5O3
• Molecular Weight: 483.45 g/mol
• Exact Mass: 483.15
• IUPAC Name: (6S)-N-(3-cyano-4-methoxyphenyl)-6-methyl-4-oxo-5-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
• SMILES: COc1ccc(NC(=O)c2cnn3c2C(=O)N(c2ccc(CC(F)(F)F)cc2)[C@@H](C)C3)cc1C#N
• InChI: InChI=1S/C24H20F3N5O3/c1-14-13-31-21(23(34)32(14)18-6-3-15(4-7-18)10-24(25,26)27)19(12-29-31)22(33)30-17-5-8-20(35-2)16(9-17)11-28/h3-9,12,14H,10,13H2,1-2H3,(H,30,33)/t14-/m0/s1
• InChIKey: ZDSGDAIEWWIWID-AWEZNQCLSA-N
• XLogP: 4.17
• TPSA: 100.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.45
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (6S)-N-(3-cyano-4-methoxyphenyl)-6-methyl-4-oxo-5-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?

The IUPAC name of (6S)-N-(3-cyano-4-methoxyphenyl)-6-methyl-4-oxo-5-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (CID 170713202) is (6S)-N-(3-cyano-4-methoxyphenyl)-6-methyl-4-oxo-5-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.

What is the SMILES notation for (6S)-N-(3-cyano-4-methoxyphenyl)-6-methyl-4-oxo-5-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?

The canonical SMILES for (6S)-N-(3-cyano-4-methoxyphenyl)-6-methyl-4-oxo-5-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is COc1ccc(NC(=O)c2cnn3c2C(=O)N(c2ccc(CC(F)(F)F)cc2)[C@@H](C)C3)cc1C#N.

What is the InChIKey of (6S)-N-(3-cyano-4-methoxyphenyl)-6-methyl-4-oxo-5-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?

The InChIKey is ZDSGDAIEWWIWID-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H20F3N5O3/c1-14-13-31-21(23(34)32(14)18-6-3-15(4-7-18)10-24(25,26)27)19(12-29-31)22(33)30-17-5-8-20(35-2)16(9-17)11-28/h3-9,12,14H,10,13H2,1-2H3,(H,30,33)/t14-/m0/s1.

What are the key properties of (6S)-N-(3-cyano-4-methoxyphenyl)-6-methyl-4-oxo-5-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?

(6S)-N-(3-cyano-4-methoxyphenyl)-6-methyl-4-oxo-5-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 483.45 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-N-(3-cyano-4-methoxyphenyl)-6-methyl-4-oxo-5-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 170713202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).