sodium;N-[(1S)-3,4-dihydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methoxymethanol;methyl (3S)-3-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-(2-methylsulfonyl-4-pyridinyl)propanoate;periodate

C70H66F3IN15NaO20S3 — CID 157198565

About sodium;N-[(1S)-3,4-dihydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methoxymethanol;methyl (3S)-3-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-(2-methylsulfonyl-4-pyridinyl)propanoate;periodate

sodium;N-[(1S)-3,4-dihydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methoxymethanol;methyl (3S)-3-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-(2-methylsulfonyl-4-pyridinyl)propanoate;periodate (PubChem CID 157198565) has the molecular formula C70H66F3IN15NaO20S3 and a molecular weight of 1740.47 g/mol. Its IUPAC name is sodium;N-[(1S)-3,4-dihydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methoxymethanol;methyl (3S)-3-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-(2-methylsulfonyl-4-pyridinyl)propanoate;periodate.

Molecular Properties

• Compound Name: sodium;N-[(1S)-3,4-dihydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methoxymethanol;methyl (3S)-3-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-(2-methylsulfonyl-4-pyridinyl)propanoate;periodate
• PubChem CID: 157198565
• Molecular Formula: C70H66F3IN15NaO20S3
• Molecular Weight: 1740.47 g/mol
• Exact Mass: 1739.27
• IUPAC Name: sodium;N-[(1S)-3,4-dihydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methoxymethanol;methyl (3S)-3-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-(2-methylsulfonyl-4-pyridinyl)propanoate;periodate
• SMILES: COC(=O)C[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1.COCO.CS(=O)(=O)c1cc([C@H](CC(O)CO)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1.CS(=O)(=O)c1cc([C@H](CC=O)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1.[Na+].[O-][I+3]([O-])([O-])[O-]
• InChI: InChI=1S/C23H20FN5O5S.C23H22FN5O5S.C22H18FN5O4S.C2H6O2.IO4.Na/c1-34-22(30)10-19(14-7-8-26-21(9-14)35(2,32)33)28-23(31)18-11-25-13-20-17(18)12-27-29(20)16-5-3-15(24)4-6-16;1-35(33,34)22-8-14(6-7-26-22)20(9-17(31)13-30)28-23(32)19-10-25-12-21-18(19)11-27-29(21)16-4-2-15(24)3-5-16;1-33(31,32)21-10-14(6-8-25-21)19(7-9-29)27-22(30)18-11-24-13-20-17(18)12-26-28(20)16-4-2-15(23)3-5-16;1-4-2-3;2-1(3,4)5;/h3-9,11-13,19H,10H2,1-2H3,(H,28,31);2-8,10-12,17,20,30-31H,9,13H2,1H3,(H,28,32);2-6,8-13,19H,7H2,1H3,(H,27,30);3H,2H2,1H3;;/q;;;;-1;+1/t19-;17?,20-;19-;;;/m000.../s1
• InChIKey: AQNNCPHDSHCNPH-VWNCCEJSSA-N
• XLogP: -4.78
• TPSA: 526.05 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 23
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1740.47
LogP ≤ 5	-4.78
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;N-[(1S)-3,4-dihydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methoxymethanol;methyl (3S)-3-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-(2-methylsulfonyl-4-pyridinyl)propanoate;periodate?

The IUPAC name of sodium;N-[(1S)-3,4-dihydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methoxymethanol;methyl (3S)-3-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-(2-methylsulfonyl-4-pyridinyl)propanoate;periodate (CID 157198565) is sodium;N-[(1S)-3,4-dihydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methoxymethanol;methyl (3S)-3-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-(2-methylsulfonyl-4-pyridinyl)propanoate;periodate.

What is the SMILES notation for sodium;N-[(1S)-3,4-dihydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methoxymethanol;methyl (3S)-3-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-(2-methylsulfonyl-4-pyridinyl)propanoate;periodate?

The canonical SMILES for sodium;N-[(1S)-3,4-dihydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methoxymethanol;methyl (3S)-3-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-(2-methylsulfonyl-4-pyridinyl)propanoate;periodate is COC(=O)C[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1.COCO.CS(=O)(=O)c1cc([C@H](CC(O)CO)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1.CS(=O)(=O)c1cc([C@H](CC=O)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1.[Na+].[O-][I+3]([O-])([O-])[O-].

What is the InChIKey of sodium;N-[(1S)-3,4-dihydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methoxymethanol;methyl (3S)-3-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-(2-methylsulfonyl-4-pyridinyl)propanoate;periodate?

The InChIKey is AQNNCPHDSHCNPH-VWNCCEJSSA-N. The full InChI is InChI=1S/C23H20FN5O5S.C23H22FN5O5S.C22H18FN5O4S.C2H6O2.IO4.Na/c1-34-22(30)10-19(14-7-8-26-21(9-14)35(2,32)33)28-23(31)18-11-25-13-20-17(18)12-27-29(20)16-5-3-15(24)4-6-16;1-35(33,34)22-8-14(6-7-26-22)20(9-17(31)13-30)28-23(32)19-10-25-12-21-18(19)11-27-29(21)16-4-2-15(24)3-5-16;1-33(31,32)21-10-14(6-8-25-21)19(7-9-29)27-22(30)18-11-24-13-20-17(18)12-26-28(20)16-4-2-15(23)3-5-16;1-4-2-3;2-1(3,4)5;/h3-9,11-13,19H,10H2,1-2H3,(H,28,31);2-8,10-12,17,20,30-31H,9,13H2,1H3,(H,28,32);2-6,8-13,19H,7H2,1H3,(H,27,30);3H,2H2,1H3;;/q;;;;-1;+1/t19-;17?,20-;19-;;;/m000.../s1.

What are the key properties of sodium;N-[(1S)-3,4-dihydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methoxymethanol;methyl (3S)-3-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-(2-methylsulfonyl-4-pyridinyl)propanoate;periodate?

sodium;N-[(1S)-3,4-dihydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methoxymethanol;methyl (3S)-3-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-(2-methylsulfonyl-4-pyridinyl)propanoate;periodate has a molecular weight of 1740.47 g/mol, XLogP of -4.78, 23 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;N-[(1S)-3,4-dihydroxy-1-(2-methylsulfonyl-4-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methoxymethanol;methyl (3S)-3-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-(2-methylsulfonyl-4-pyridinyl)propanoate;periodate is sourced from PubChem (CID 157198565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).