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

C22H25Cl2N5O2S — CID 161145870

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

(7S)-5-(3,4-dichlorophenyl)-N-(2,6-dimethyl-4-pyridinyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;methane;sulfane (PubChem CID 161145870) has the molecular formula C22H25Cl2N5O2S and a molecular weight of 494.45 g/mol. Its IUPAC name is (7S)-5-(3,4-dichlorophenyl)-N-(2,6-dimethyl-4-pyridinyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;methane;sulfane.

Molecular Properties

• Compound Name: (7S)-5-(3,4-dichlorophenyl)-N-(2,6-dimethyl-4-pyridinyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;methane;sulfane
• PubChem CID: 161145870
• Molecular Formula: C22H25Cl2N5O2S
• Molecular Weight: 494.45 g/mol
• Exact Mass: 493.11
• IUPAC Name: (7S)-5-(3,4-dichlorophenyl)-N-(2,6-dimethyl-4-pyridinyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;methane;sulfane
• SMILES: C.Cc1cc(NC(=O)c2cnn3c2C(=O)N(c2ccc(Cl)c(Cl)c2)C[C@@H]3C)cc(C)n1.S
• InChI: InChI=1S/C21H19Cl2N5O2.CH4.H2S/c1-11-6-14(7-12(2)25-11)26-20(29)16-9-24-28-13(3)10-27(21(30)19(16)28)15-4-5-17(22)18(23)8-15;;/h4-9,13H,10H2,1-3H3,(H,25,26,29);1H4;1H2/t13-;;/m0../s1
• InChIKey: UOAQTSSPLDWVRC-GXKRWWSZSA-N
• XLogP: 5.42
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.45
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (7S)-5-(3,4-dichlorophenyl)-N-(2,6-dimethyl-4-pyridinyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;methane;sulfane (CID 161145870) is (7S)-5-(3,4-dichlorophenyl)-N-(2,6-dimethyl-4-pyridinyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;methane;sulfane.

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

The canonical SMILES for (7S)-5-(3,4-dichlorophenyl)-N-(2,6-dimethyl-4-pyridinyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;methane;sulfane is C.Cc1cc(NC(=O)c2cnn3c2C(=O)N(c2ccc(Cl)c(Cl)c2)C[C@@H]3C)cc(C)n1.S.

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

The InChIKey is UOAQTSSPLDWVRC-GXKRWWSZSA-N. The full InChI is InChI=1S/C21H19Cl2N5O2.CH4.H2S/c1-11-6-14(7-12(2)25-11)26-20(29)16-9-24-28-13(3)10-27(21(30)19(16)28)15-4-5-17(22)18(23)8-15;;/h4-9,13H,10H2,1-3H3,(H,25,26,29);1H4;1H2/t13-;;/m0../s1.

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

(7S)-5-(3,4-dichlorophenyl)-N-(2,6-dimethyl-4-pyridinyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;methane;sulfane has a molecular weight of 494.45 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-5-(3,4-dichlorophenyl)-N-(2,6-dimethyl-4-pyridinyl)-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;methane;sulfane is sourced from PubChem (CID 161145870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).