N-(4-fluorophenyl)formamide;N-(6-methoxypyrazolo[1,5-a]pyridin-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

C25H23FN6O2S — CID 145101746

About N-(4-fluorophenyl)formamide;N-(6-methoxypyrazolo[1,5-a]pyridin-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

N-(4-fluorophenyl)formamide;N-(6-methoxypyrazolo[1,5-a]pyridin-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine (PubChem CID 145101746) has the molecular formula C25H23FN6O2S and a molecular weight of 490.56 g/mol. Its IUPAC name is N-(4-fluorophenyl)formamide;N-(6-methoxypyrazolo[1,5-a]pyridin-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-(4-fluorophenyl)formamide;N-(6-methoxypyrazolo[1,5-a]pyridin-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
• PubChem CID: 145101746
• Molecular Formula: C25H23FN6O2S
• Molecular Weight: 490.56 g/mol
• Exact Mass: 490.16
• IUPAC Name: N-(4-fluorophenyl)formamide;N-(6-methoxypyrazolo[1,5-a]pyridin-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
• SMILES: COc1cn2nccc2cc1Nc1ncnc2sc3c(c12)CCCC3.O=CNc1ccc(F)cc1
• InChI: InChI=1S/C18H17N5OS.C7H6FNO/c1-24-14-9-23-11(6-7-21-23)8-13(14)22-17-16-12-4-2-3-5-15(12)25-18(16)20-10-19-17;8-6-1-3-7(4-2-6)9-5-10/h6-10H,2-5H2,1H3,(H,19,20,22);1-5H,(H,9,10)
• InChIKey: QLOKPWFXYPSWFW-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 93.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.56
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)formamide;N-(6-methoxypyrazolo[1,5-a]pyridin-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?

The IUPAC name of N-(4-fluorophenyl)formamide;N-(6-methoxypyrazolo[1,5-a]pyridin-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine (CID 145101746) is N-(4-fluorophenyl)formamide;N-(6-methoxypyrazolo[1,5-a]pyridin-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for N-(4-fluorophenyl)formamide;N-(6-methoxypyrazolo[1,5-a]pyridin-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?

The canonical SMILES for N-(4-fluorophenyl)formamide;N-(6-methoxypyrazolo[1,5-a]pyridin-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is COc1cn2nccc2cc1Nc1ncnc2sc3c(c12)CCCC3.O=CNc1ccc(F)cc1.

What is the InChIKey of N-(4-fluorophenyl)formamide;N-(6-methoxypyrazolo[1,5-a]pyridin-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?

The InChIKey is QLOKPWFXYPSWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5OS.C7H6FNO/c1-24-14-9-23-11(6-7-21-23)8-13(14)22-17-16-12-4-2-3-5-15(12)25-18(16)20-10-19-17;8-6-1-3-7(4-2-6)9-5-10/h6-10H,2-5H2,1H3,(H,19,20,22);1-5H,(H,9,10).

What are the key properties of N-(4-fluorophenyl)formamide;N-(6-methoxypyrazolo[1,5-a]pyridin-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?

N-(4-fluorophenyl)formamide;N-(6-methoxypyrazolo[1,5-a]pyridin-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine has a molecular weight of 490.56 g/mol, XLogP of 5.36, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluorophenyl)formamide;N-(6-methoxypyrazolo[1,5-a]pyridin-5-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 145101746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).