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

C24H18N4O4 — CID 4775944

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

6-amino-3-(furan-2-yl)-4-(4-hydroxy-3-methoxyphenyl)-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile (PubChem CID 4775944) has the molecular formula C24H18N4O4 and a molecular weight of 426.43 g/mol. Its IUPAC name is 6-amino-3-(furan-2-yl)-4-(4-hydroxy-3-methoxyphenyl)-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.

Molecular Properties

• Compound Name: 6-amino-3-(furan-2-yl)-4-(4-hydroxy-3-methoxyphenyl)-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
• PubChem CID: 4775944
• Molecular Formula: C24H18N4O4
• Molecular Weight: 426.43 g/mol
• Exact Mass: 426.13
• IUPAC Name: 6-amino-3-(furan-2-yl)-4-(4-hydroxy-3-methoxyphenyl)-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
• SMILES: COc1cc(C2C(C#N)=C(N)Oc3c2c(-c2ccco2)nn3-c2ccccc2)ccc1O
• InChI: InChI=1S/C24H18N4O4/c1-30-19-12-14(9-10-17(19)29)20-16(13-25)23(26)32-24-21(20)22(18-8-5-11-31-18)27-28(24)15-6-3-2-4-7-15/h2-12,20,29H,26H2,1H3
• InChIKey: QOGATCJNYUQPRL-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 119.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.43
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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-3-(furan-2-yl)-4-(4-hydroxy-3-methoxyphenyl)-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?

The IUPAC name of 6-amino-3-(furan-2-yl)-4-(4-hydroxy-3-methoxyphenyl)-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile (CID 4775944) is 6-amino-3-(furan-2-yl)-4-(4-hydroxy-3-methoxyphenyl)-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.

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

The canonical SMILES for 6-amino-3-(furan-2-yl)-4-(4-hydroxy-3-methoxyphenyl)-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile is COc1cc(C2C(C#N)=C(N)Oc3c2c(-c2ccco2)nn3-c2ccccc2)ccc1O.

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

The InChIKey is QOGATCJNYUQPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O4/c1-30-19-12-14(9-10-17(19)29)20-16(13-25)23(26)32-24-21(20)22(18-8-5-11-31-18)27-28(24)15-6-3-2-4-7-15/h2-12,20,29H,26H2,1H3.

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

6-amino-3-(furan-2-yl)-4-(4-hydroxy-3-methoxyphenyl)-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile has a molecular weight of 426.43 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-3-(furan-2-yl)-4-(4-hydroxy-3-methoxyphenyl)-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile is sourced from PubChem (CID 4775944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).