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

C24H26FN5OS — CID 143965573

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

ethane;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 143965573) has the molecular formula C24H26FN5OS and a molecular weight of 451.57 g/mol. Its IUPAC name is ethane;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: ethane;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
• PubChem CID: 143965573
• Molecular Formula: C24H26FN5OS
• Molecular Weight: 451.57 g/mol
• Exact Mass: 451.18
• IUPAC Name: ethane;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
• SMILES: CC.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(SC)c1
• InChI: InChI=1S/C22H20FN5OS.C2H6/c1-3-19(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/h4-13,19H,3H2,1-2H3,(H,27,29);1-2H3/t19-;/m0./s1
• InChIKey: GNDGEBDCXMLKPY-FYZYNONXSA-N
• XLogP: 5.58
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.57
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

The IUPAC name of ethane;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 143965573) is ethane;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

What is the SMILES notation for ethane;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

The canonical SMILES for ethane;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide is CC.CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(SC)c1.

What is the InChIKey of ethane;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

The InChIKey is GNDGEBDCXMLKPY-FYZYNONXSA-N. The full InChI is InChI=1S/C22H20FN5OS.C2H6/c1-3-19(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/h4-13,19H,3H2,1-2H3,(H,27,29);1-2H3/t19-;/m0./s1.

What are the key properties of ethane;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?

ethane;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 143965573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).