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

C24H18N4O4 — CID 4775944

IUPAC6-amino-3-(furan-2-yl)-4-(4-hydroxy-3-methoxyphenyl)-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
SMILESCOc1cc(C2C(C#N)=C(N)Oc3c2c(-c2ccco2)nn3-c2ccccc2)ccc1O
InChIInChI=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
InChIKeyQOGATCJNYUQPRL-UHFFFAOYSA-N
MW426.43 g/mol
LogP4.06
Rot. Bonds4

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 Name6-amino-3-(furan-2-yl)-4-(4-hydroxy-3-methoxyphenyl)-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
PubChem CID4775944
Molecular FormulaC24H18N4O4
Molecular Weight426.43 g/mol
Exact Mass426.13
IUPAC Name6-amino-3-(furan-2-yl)-4-(4-hydroxy-3-methoxyphenyl)-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
SMILESCOc1cc(C2C(C#N)=C(N)Oc3c2c(-c2ccco2)nn3-c2ccccc2)ccc1O
InChIInChI=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
InChIKeyQOGATCJNYUQPRL-UHFFFAOYSA-N
XLogP4.06
TPSA119.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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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).