sodium;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfinyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methanol;periodate

C45H44F2IN10NaO8S2 — CID 157367299

IUPACsodium;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfinyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methanol;periodate
SMILESCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)=O)c1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(SC)c1.CO.[Na+].[O-][I+3]([O-])([O-])[O-]
InChIInChI=1S/C22H20FN5O2S.C22H20FN5OS.CH4O.IO4.Na/c1-3-19(14-8-9-25-21(10-14)31(2)30)27-22(29)18-11-24-13-20-17(18)12-26-28(20)16-6-4-15(23)5-7-16;1-3-19(14-8-9-25-21(10-14)30-2)27-22(29)18-11-24-13-20-17(18)12-26-28(20)16-6-4-15(23)5-7-16;1-2;2-1(3,4)5;/h4-13,19H,3H2,1-2H3,(H,27,29);4-13,19H,3H2,1-2H3,(H,27,29);2H,1H3;;/q;;;-1;+1/t19-,31?;19-;;;/m00.../s1
InChIKeyBJILBGGDBGDCHW-RSBQSGGBSA-N
MW1104.93 g/mol
LogP-3.01
Rot. Bonds12

About sodium;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfinyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methanol;periodate

sodium;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfinyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methanol;periodate (PubChem CID 157367299) has the molecular formula C45H44F2IN10NaO8S2 and a molecular weight of 1104.93 g/mol. Its IUPAC name is sodium;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfinyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methanol;periodate.

Molecular Properties

Compound Namesodium;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfinyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methanol;periodate
PubChem CID157367299
Molecular FormulaC45H44F2IN10NaO8S2
Molecular Weight1104.93 g/mol
Exact Mass1104.17
IUPAC Namesodium;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfinyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methanol;periodate
SMILESCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)=O)c1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(SC)c1.CO.[Na+].[O-][I+3]([O-])([O-])[O-]
InChIInChI=1S/C22H20FN5O2S.C22H20FN5OS.CH4O.IO4.Na/c1-3-19(14-8-9-25-21(10-14)31(2)30)27-22(29)18-11-24-13-20-17(18)12-26-28(20)16-6-4-15(23)5-7-16;1-3-19(14-8-9-25-21(10-14)30-2)27-22(29)18-11-24-13-20-17(18)12-26-28(20)16-6-4-15(23)5-7-16;1-2;2-1(3,4)5;/h4-13,19H,3H2,1-2H3,(H,27,29);4-13,19H,3H2,1-2H3,(H,27,29);2H,1H3;;/q;;;-1;+1/t19-,31?;19-;;;/m00.../s1
InChIKeyBJILBGGDBGDCHW-RSBQSGGBSA-N
XLogP-3.01
TPSA274.94 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms69
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001104.93
LogP ≤ 5-3.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze sodium;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfinyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methanol;periodate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of sodium;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfinyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methanol;periodate?
The IUPAC name of sodium;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfinyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methanol;periodate (CID 157367299) is sodium;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfinyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methanol;periodate.
What is the SMILES notation for sodium;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfinyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methanol;periodate?
The canonical SMILES for sodium;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfinyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methanol;periodate is CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)=O)c1.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(SC)c1.CO.[Na+].[O-][I+3]([O-])([O-])[O-].
What is the InChIKey of sodium;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfinyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methanol;periodate?
The InChIKey is BJILBGGDBGDCHW-RSBQSGGBSA-N. The full InChI is InChI=1S/C22H20FN5O2S.C22H20FN5OS.CH4O.IO4.Na/c1-3-19(14-8-9-25-21(10-14)31(2)30)27-22(29)18-11-24-13-20-17(18)12-26-28(20)16-6-4-15(23)5-7-16;1-3-19(14-8-9-25-21(10-14)30-2)27-22(29)18-11-24-13-20-17(18)12-26-28(20)16-6-4-15(23)5-7-16;1-2;2-1(3,4)5;/h4-13,19H,3H2,1-2H3,(H,27,29);4-13,19H,3H2,1-2H3,(H,27,29);2H,1H3;;/q;;;-1;+1/t19-,31?;19-;;;/m00.../s1.
What are the key properties of sodium;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfinyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methanol;periodate?
sodium;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfinyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methanol;periodate has a molecular weight of 1104.93 g/mol, XLogP of -3.01, 12 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfinyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide;methanol;periodate is sourced from PubChem (CID 157367299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).