deuterio(fluoro)methane;dichloromethane;N-[(1S)-1-(2-ethyl-6-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-6-oxo-1H-pyridin-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-6-methylsulfonyl-2-pyridinyl] trifluoromethanesulfonate;methanamine;methane

C73H77Cl2F7N16O13S4 — CID 160963673

About deuterio(fluoro)methane;dichloromethane;N-[(1S)-1-(2-ethyl-6-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-6-oxo-1H-pyridin-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-6-methylsulfonyl-2-pyridinyl] trifluoromethanesulfonate;methanamine;methane

deuterio(fluoro)methane;dichloromethane;N-[(1S)-1-(2-ethyl-6-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-6-oxo-1H-pyridin-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-6-methylsulfonyl-2-pyridinyl] trifluoromethanesulfonate;methanamine;methane (PubChem CID 160963673) has the molecular formula C73H77Cl2F7N16O13S4 and a molecular weight of 1719.68 g/mol. Its IUPAC name is deuterio(fluoro)methane;dichloromethane;N-[(1S)-1-(2-ethyl-6-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-6-oxo-1H-pyridin-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-6-methylsulfonyl-2-pyridinyl] trifluoromethanesulfonate;methanamine;methane.

Molecular Properties

• Compound Name: deuterio(fluoro)methane;dichloromethane;N-[(1S)-1-(2-ethyl-6-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-6-oxo-1H-pyridin-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-6-methylsulfonyl-2-pyridinyl] trifluoromethanesulfonate;methanamine;methane
• PubChem CID: 160963673
• Molecular Formula: C73H77Cl2F7N16O13S4
• Molecular Weight: 1719.68 g/mol
• Exact Mass: 1717.41
• IUPAC Name: deuterio(fluoro)methane;dichloromethane;N-[(1S)-1-(2-ethyl-6-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-6-oxo-1H-pyridin-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-6-methylsulfonyl-2-pyridinyl] trifluoromethanesulfonate;methanamine;methane
• SMILES: C.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cc(OS(=O)(=O)C(F)(F)F)nc(S(C)(=O)=O)c1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cc(S(C)(=O)=O)[nH]c(=O)c1.CCc1cc([C@H](CC)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc(S(C)(=O)=O)n1.CN.ClCCl.[2H]CF
• InChI: InChI=1S/C24H24FN5O3S.C23H19F4N5O6S2.C22H20FN5O4S.CH2Cl2.CH3F.CH5N.CH4/c1-4-17-10-15(11-23(28-17)34(3,32)33)21(5-2)29-24(31)20-12-26-14-22-19(20)13-27-30(22)18-8-6-16(25)7-9-18;1-3-18(13-8-20(31-21(9-13)39(2,34)35)38-40(36,37)23(25,26)27)30-22(33)17-10-28-12-19-16(17)11-29-32(19)15-6-4-14(24)5-7-15;1-3-18(13-8-20(29)27-21(9-13)33(2,31)32)26-22(30)17-10-24-12-19-16(17)11-25-28(19)15-6-4-14(23)5-7-15;2-1-3;2*1-2;/h6-14,21H,4-5H2,1-3H3,(H,29,31);4-12,18H,3H2,1-2H3,(H,30,33);4-12,18H,3H2,1-2H3,(H,26,30)(H,27,29);1H2;1H3;2H2,1H3;1H4/t21-;2*18-;;;;/m000..../s1/i;;;;1D
• InChIKey: SXIGSNARTOCHKK-JXCIUDLKSA-N
• XLogP: 12.02
• TPSA: 409.88 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 21
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1719.68
LogP ≤ 5	12.02
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of deuterio(fluoro)methane;dichloromethane;N-[(1S)-1-(2-ethyl-6-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-6-oxo-1H-pyridin-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-6-methylsulfonyl-2-pyridinyl] trifluoromethanesulfonate;methanamine;methane?

The IUPAC name of deuterio(fluoro)methane;dichloromethane;N-[(1S)-1-(2-ethyl-6-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-6-oxo-1H-pyridin-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-6-methylsulfonyl-2-pyridinyl] trifluoromethanesulfonate;methanamine;methane (CID 160963673) is deuterio(fluoro)methane;dichloromethane;N-[(1S)-1-(2-ethyl-6-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-6-oxo-1H-pyridin-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-6-methylsulfonyl-2-pyridinyl] trifluoromethanesulfonate;methanamine;methane.

What is the SMILES notation for deuterio(fluoro)methane;dichloromethane;N-[(1S)-1-(2-ethyl-6-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-6-oxo-1H-pyridin-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-6-methylsulfonyl-2-pyridinyl] trifluoromethanesulfonate;methanamine;methane?

The canonical SMILES for deuterio(fluoro)methane;dichloromethane;N-[(1S)-1-(2-ethyl-6-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-6-oxo-1H-pyridin-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-6-methylsulfonyl-2-pyridinyl] trifluoromethanesulfonate;methanamine;methane is C.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cc(OS(=O)(=O)C(F)(F)F)nc(S(C)(=O)=O)c1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cc(S(C)(=O)=O)[nH]c(=O)c1.CCc1cc([C@H](CC)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc(S(C)(=O)=O)n1.CN.ClCCl.[2H]CF.

What is the InChIKey of deuterio(fluoro)methane;dichloromethane;N-[(1S)-1-(2-ethyl-6-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-6-oxo-1H-pyridin-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-6-methylsulfonyl-2-pyridinyl] trifluoromethanesulfonate;methanamine;methane?

The InChIKey is SXIGSNARTOCHKK-JXCIUDLKSA-N. The full InChI is InChI=1S/C24H24FN5O3S.C23H19F4N5O6S2.C22H20FN5O4S.CH2Cl2.CH3F.CH5N.CH4/c1-4-17-10-15(11-23(28-17)34(3,32)33)21(5-2)29-24(31)20-12-26-14-22-19(20)13-27-30(22)18-8-6-16(25)7-9-18;1-3-18(13-8-20(31-21(9-13)39(2,34)35)38-40(36,37)23(25,26)27)30-22(33)17-10-28-12-19-16(17)11-29-32(19)15-6-4-14(24)5-7-15;1-3-18(13-8-20(29)27-21(9-13)33(2,31)32)26-22(30)17-10-24-12-19-16(17)11-25-28(19)15-6-4-14(23)5-7-15;2-1-3;2*1-2;/h6-14,21H,4-5H2,1-3H3,(H,29,31);4-12,18H,3H2,1-2H3,(H,30,33);4-12,18H,3H2,1-2H3,(H,26,30)(H,27,29);1H2;1H3;2H2,1H3;1H4/t21-;2*18-;;;;/m000..../s1/i;;;;1D;;.

What are the key properties of deuterio(fluoro)methane;dichloromethane;N-[(1S)-1-(2-ethyl-6-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-6-oxo-1H-pyridin-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-6-methylsulfonyl-2-pyridinyl] trifluoromethanesulfonate;methanamine;methane?

deuterio(fluoro)methane;dichloromethane;N-[(1S)-1-(2-ethyl-6-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-6-oxo-1H-pyridin-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-6-methylsulfonyl-2-pyridinyl] trifluoromethanesulfonate;methanamine;methane has a molecular weight of 1719.68 g/mol, XLogP of 12.02, 21 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for deuterio(fluoro)methane;dichloromethane;N-[(1S)-1-(2-ethyl-6-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-6-oxo-1H-pyridin-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;[4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-6-methylsulfonyl-2-pyridinyl] trifluoromethanesulfonate;methanamine;methane is sourced from PubChem (CID 160963673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).