6-amino-4-(3-fluorophenyl)-3-(furan-2-yl)-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile

C23H15FN4O2 — CID 19334650

About 6-amino-4-(3-fluorophenyl)-3-(furan-2-yl)-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile

6-amino-4-(3-fluorophenyl)-3-(furan-2-yl)-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile (PubChem CID 19334650) has the molecular formula C23H15FN4O2 and a molecular weight of 398.40 g/mol. Its IUPAC name is 6-amino-4-(3-fluorophenyl)-3-(furan-2-yl)-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.

Molecular Properties

• Compound Name: 6-amino-4-(3-fluorophenyl)-3-(furan-2-yl)-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
• PubChem CID: 19334650
• Molecular Formula: C23H15FN4O2
• Molecular Weight: 398.40 g/mol
• Exact Mass: 398.12
• IUPAC Name: 6-amino-4-(3-fluorophenyl)-3-(furan-2-yl)-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
• SMILES: N#CC1=C(N)Oc2c(c(-c3ccco3)nn2-c2ccccc2)C1c1cccc(F)c1
• InChI: InChI=1S/C23H15FN4O2/c24-15-7-4-6-14(12-15)19-17(13-25)22(26)30-23-20(19)21(18-10-5-11-29-18)27-28(23)16-8-2-1-3-9-16/h1-12,19H,26H2
• InChIKey: FTBWVVXOZJEYBT-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 90.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.40
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dhp_amino_CN_B(9)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(3-fluorophenyl)-3-(furan-2-yl)-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?

The IUPAC name of 6-amino-4-(3-fluorophenyl)-3-(furan-2-yl)-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile (CID 19334650) is 6-amino-4-(3-fluorophenyl)-3-(furan-2-yl)-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.

What is the SMILES notation for 6-amino-4-(3-fluorophenyl)-3-(furan-2-yl)-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?

The canonical SMILES for 6-amino-4-(3-fluorophenyl)-3-(furan-2-yl)-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile is N#CC1=C(N)Oc2c(c(-c3ccco3)nn2-c2ccccc2)C1c1cccc(F)c1.

What is the InChIKey of 6-amino-4-(3-fluorophenyl)-3-(furan-2-yl)-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?

The InChIKey is FTBWVVXOZJEYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN4O2/c24-15-7-4-6-14(12-15)19-17(13-25)22(26)30-23-20(19)21(18-10-5-11-29-18)27-28(23)16-8-2-1-3-9-16/h1-12,19H,26H2.

What are the key properties of 6-amino-4-(3-fluorophenyl)-3-(furan-2-yl)-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?

6-amino-4-(3-fluorophenyl)-3-(furan-2-yl)-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile has a molecular weight of 398.40 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-4-(3-fluorophenyl)-3-(furan-2-yl)-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile is sourced from PubChem (CID 19334650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).