6-amino-4-(2,5-dimethoxyphenyl)-3-(1-formylnaphthalen-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C26H20N4O4 — CID 135365276

IUPAC6-amino-4-(2,5-dimethoxyphenyl)-3-(1-formylnaphthalen-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCOc1ccc(OC)c(C2C(C#N)=C(N)Oc3n[nH]c(-c4ccc5ccccc5c4C=O)c32)c1
InChIInChI=1S/C26H20N4O4/c1-32-15-8-10-21(33-2)18(11-15)22-19(12-27)25(28)34-26-23(22)24(29-30-26)17-9-7-14-5-3-4-6-16(14)20(17)13-31/h3-11,13,22H,28H2,1-2H3,(H,29,30)
InChIKeyRFSOKXHAOSMSEX-UHFFFAOYSA-N
MW452.47 g/mol
LogP4.28
Rot. Bonds5

About 6-amino-4-(2,5-dimethoxyphenyl)-3-(1-formylnaphthalen-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-(2,5-dimethoxyphenyl)-3-(1-formylnaphthalen-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 135365276) has the molecular formula C26H20N4O4 and a molecular weight of 452.47 g/mol. Its IUPAC name is 6-amino-4-(2,5-dimethoxyphenyl)-3-(1-formylnaphthalen-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(2,5-dimethoxyphenyl)-3-(1-formylnaphthalen-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID135365276
Molecular FormulaC26H20N4O4
Molecular Weight452.47 g/mol
Exact Mass452.15
IUPAC Name6-amino-4-(2,5-dimethoxyphenyl)-3-(1-formylnaphthalen-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCOc1ccc(OC)c(C2C(C#N)=C(N)Oc3n[nH]c(-c4ccc5ccccc5c4C=O)c32)c1
InChIInChI=1S/C26H20N4O4/c1-32-15-8-10-21(33-2)18(11-15)22-19(12-27)25(28)34-26-23(22)24(29-30-26)17-9-7-14-5-3-4-6-16(14)20(17)13-31/h3-11,13,22H,28H2,1-2H3,(H,29,30)
InChIKeyRFSOKXHAOSMSEX-UHFFFAOYSA-N
XLogP4.28
TPSA123.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-amino-4-(2,5-dimethoxyphenyl)-3-(1-formylnaphthalen-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-6-amino-4-(2,5-dimethoxyphenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1212680
(4R)-6-amino-4-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1044795
6-amino-3-(4-methoxyphenyl)-4-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 11838537
(4R)-6-amino-4-(2,3-dichlorophenyl)-3-(2,5-dimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1087954
6-amino-3-(4-ethoxyphenyl)-4-(2-methoxynaphthalen-1-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3437186
(4S)-6-amino-4-(2,4-dimethoxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1112102
6-amino-3-(2,5-dimethoxyphenyl)-4-(furan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2946490
6-amino-3-(2,5-dimethoxyphenyl)-4-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3155375
(4S)-6-amino-3-(2,5-dimethoxyphenyl)-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1087959
6-amino-3-(2,5-dimethoxyphenyl)-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2946260
6-amino-4-(2-butoxyphenyl)-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2961940
6-amino-4-(3,5-dichloro-2-methoxyphenyl)-3-naphthalen-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 43819115

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(2,5-dimethoxyphenyl)-3-(1-formylnaphthalen-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-(2,5-dimethoxyphenyl)-3-(1-formylnaphthalen-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 135365276) is 6-amino-4-(2,5-dimethoxyphenyl)-3-(1-formylnaphthalen-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-(2,5-dimethoxyphenyl)-3-(1-formylnaphthalen-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-(2,5-dimethoxyphenyl)-3-(1-formylnaphthalen-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is COc1ccc(OC)c(C2C(C#N)=C(N)Oc3n[nH]c(-c4ccc5ccccc5c4C=O)c32)c1.
What is the InChIKey of 6-amino-4-(2,5-dimethoxyphenyl)-3-(1-formylnaphthalen-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is RFSOKXHAOSMSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O4/c1-32-15-8-10-21(33-2)18(11-15)22-19(12-27)25(28)34-26-23(22)24(29-30-26)17-9-7-14-5-3-4-6-16(14)20(17)13-31/h3-11,13,22H,28H2,1-2H3,(H,29,30).
What are the key properties of 6-amino-4-(2,5-dimethoxyphenyl)-3-(1-formylnaphthalen-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-(2,5-dimethoxyphenyl)-3-(1-formylnaphthalen-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 452.47 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(2,5-dimethoxyphenyl)-3-(1-formylnaphthalen-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 135365276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).