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

C26H20N4O3 — CID 50884886

IUPAC4-[5-(4-acetylphenyl)furan-2-yl]-6-amino-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
SMILESCC(=O)c1ccc(-c2ccc(C3C(C#N)=C(N)Oc4c3c(C)nn4-c3ccccc3)o2)cc1
InChIInChI=1S/C26H20N4O3/c1-15-23-24(22-13-12-21(32-22)18-10-8-17(9-11-18)16(2)31)20(14-27)25(28)33-26(23)30(29-15)19-6-4-3-5-7-19/h3-13,24H,28H2,1-2H3
InChIKeyHHPNGFQAQAAZAQ-UHFFFAOYSA-N
MW436.47 g/mol
LogP4.86
Rot. Bonds4

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

4-[5-(4-acetylphenyl)furan-2-yl]-6-amino-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile (PubChem CID 50884886) has the molecular formula C26H20N4O3 and a molecular weight of 436.47 g/mol. Its IUPAC name is 4-[5-(4-acetylphenyl)furan-2-yl]-6-amino-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name4-[5-(4-acetylphenyl)furan-2-yl]-6-amino-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
PubChem CID50884886
Molecular FormulaC26H20N4O3
Molecular Weight436.47 g/mol
Exact Mass436.15
IUPAC Name4-[5-(4-acetylphenyl)furan-2-yl]-6-amino-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
SMILESCC(=O)c1ccc(-c2ccc(C3C(C#N)=C(N)Oc4c3c(C)nn4-c3ccccc3)o2)cc1
InChIInChI=1S/C26H20N4O3/c1-15-23-24(22-13-12-21(32-22)18-10-8-17(9-11-18)16(2)31)20(14-27)25(28)33-26(23)30(29-15)19-6-4-3-5-7-19/h3-13,24H,28H2,1-2H3
InChIKeyHHPNGFQAQAAZAQ-UHFFFAOYSA-N
XLogP4.86
TPSA107.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-Amino-4-[5-(2-cyanophenyl)-2-furyl]-3-methyl-1,4-dihydropyrano[2,3-C]pyrazole-5-carbonitrile
CID 650594
6-Amino-1-benzyl-4-(furan-2-yl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2872325
6-Amino-3-methyl-4-(5-(p-tolyl)furan-2-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3737081
6-Amino-3-(3-methoxyphenyl)-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 4979266
6-Amino-4-(3-furyl)-3-methyl-1-(4-methylphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 654998
6-Amino-4-(furan-2-yl)-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 658191
6-Amino-4-(5-methyl-2-furyl)-3-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2908739
6-Amino-4-(5-methyl-2-furyl)-3-(3-pyridinyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2951938
6-Amino-3-methyl-4-(5-methyl-furan-2-yl)-1-p-tolyl-1,4-dihydro-pyrano[2,3-c]pyrazole-5-carbonitrile
CID 3137239
6-Amino-3-methyl-4-(5-phenyl-2-furyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 4271961
6-amino-4-(furan-2-yl)-3-methyl-1-(4-methylphenyl)-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
CID 2866107
4-(1-Benzofuran-2-yl)-5-methyl-7-phenyl-3,4-dihydrooxathiino[5,6-d]pyrazole 2,2-dioxide
CID 155528222

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-acetylphenyl)furan-2-yl]-6-amino-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
The IUPAC name of 4-[5-(4-acetylphenyl)furan-2-yl]-6-amino-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile (CID 50884886) is 4-[5-(4-acetylphenyl)furan-2-yl]-6-amino-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.
What is the SMILES notation for 4-[5-(4-acetylphenyl)furan-2-yl]-6-amino-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
The canonical SMILES for 4-[5-(4-acetylphenyl)furan-2-yl]-6-amino-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile is CC(=O)c1ccc(-c2ccc(C3C(C#N)=C(N)Oc4c3c(C)nn4-c3ccccc3)o2)cc1.
What is the InChIKey of 4-[5-(4-acetylphenyl)furan-2-yl]-6-amino-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
The InChIKey is HHPNGFQAQAAZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O3/c1-15-23-24(22-13-12-21(32-22)18-10-8-17(9-11-18)16(2)31)20(14-27)25(28)33-26(23)30(29-15)19-6-4-3-5-7-19/h3-13,24H,28H2,1-2H3.
What are the key properties of 4-[5-(4-acetylphenyl)furan-2-yl]-6-amino-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
4-[5-(4-acetylphenyl)furan-2-yl]-6-amino-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile has a molecular weight of 436.47 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-acetylphenyl)furan-2-yl]-6-amino-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile is sourced from PubChem (CID 50884886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).