methane;(7S)-N-(5-methoxy-2-pyridinyl)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;sulfane

C22H24F3N5O3S — CID 160580284

About methane;(7S)-N-(5-methoxy-2-pyridinyl)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;sulfane

methane;(7S)-N-(5-methoxy-2-pyridinyl)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;sulfane (PubChem CID 160580284) has the molecular formula C22H24F3N5O3S and a molecular weight of 495.53 g/mol. Its IUPAC name is methane;(7S)-N-(5-methoxy-2-pyridinyl)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;sulfane.

Molecular Properties

• Compound Name: methane;(7S)-N-(5-methoxy-2-pyridinyl)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;sulfane
• PubChem CID: 160580284
• Molecular Formula: C22H24F3N5O3S
• Molecular Weight: 495.53 g/mol
• Exact Mass: 495.16
• IUPAC Name: methane;(7S)-N-(5-methoxy-2-pyridinyl)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;sulfane
• SMILES: C.COc1ccc(NC(=O)c2cnn3c2C(=O)N(c2ccc(C(F)(F)F)cc2)C[C@@H]3C)nc1.S
• InChI: InChI=1S/C21H18F3N5O3.CH4.H2S/c1-12-11-28(14-5-3-13(4-6-14)21(22,23)24)20(31)18-16(10-26-29(12)18)19(30)27-17-8-7-15(32-2)9-25-17;;/h3-10,12H,11H2,1-2H3,(H,25,27,30);1H4;1H2/t12-;;/m0../s1
• InChIKey: RBRPFKCJGUHHJC-LTCKWSDVSA-N
• XLogP: 4.53
• TPSA: 89.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.53
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methane;(7S)-N-(5-methoxy-2-pyridinyl)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;sulfane?

The IUPAC name of methane;(7S)-N-(5-methoxy-2-pyridinyl)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;sulfane (CID 160580284) is methane;(7S)-N-(5-methoxy-2-pyridinyl)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;sulfane.

What is the SMILES notation for methane;(7S)-N-(5-methoxy-2-pyridinyl)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;sulfane?

The canonical SMILES for methane;(7S)-N-(5-methoxy-2-pyridinyl)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;sulfane is C.COc1ccc(NC(=O)c2cnn3c2C(=O)N(c2ccc(C(F)(F)F)cc2)C[C@@H]3C)nc1.S.

What is the InChIKey of methane;(7S)-N-(5-methoxy-2-pyridinyl)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;sulfane?

The InChIKey is RBRPFKCJGUHHJC-LTCKWSDVSA-N. The full InChI is InChI=1S/C21H18F3N5O3.CH4.H2S/c1-12-11-28(14-5-3-13(4-6-14)21(22,23)24)20(31)18-16(10-26-29(12)18)19(30)27-17-8-7-15(32-2)9-25-17;;/h3-10,12H,11H2,1-2H3,(H,25,27,30);1H4;1H2/t12-;;/m0../s1.

What are the key properties of methane;(7S)-N-(5-methoxy-2-pyridinyl)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;sulfane?

methane;(7S)-N-(5-methoxy-2-pyridinyl)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;sulfane has a molecular weight of 495.53 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methane;(7S)-N-(5-methoxy-2-pyridinyl)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;sulfane is sourced from PubChem (CID 160580284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).