6-amino-3-ethyl-4-(4-imidazol-1-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C18H16N6O — CID 135132933

IUPAC6-amino-3-ethyl-4-(4-imidazol-1-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCc1[nH]nc2c1C(c1ccc(-n3ccnc3)cc1)C(C#N)=C(N)O2
InChIInChI=1S/C18H16N6O/c1-2-14-16-15(13(9-19)17(20)25-18(16)23-22-14)11-3-5-12(6-4-11)24-8-7-21-10-24/h3-8,10,15H,2,20H2,1H3,(H,22,23)
InChIKeyIVCYYBJCYVDWGF-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.38
Rot. Bonds3

About 6-amino-3-ethyl-4-(4-imidazol-1-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-3-ethyl-4-(4-imidazol-1-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 135132933) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 6-amino-3-ethyl-4-(4-imidazol-1-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-ethyl-4-(4-imidazol-1-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID135132933
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name6-amino-3-ethyl-4-(4-imidazol-1-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCc1[nH]nc2c1C(c1ccc(-n3ccnc3)cc1)C(C#N)=C(N)O2
InChIInChI=1S/C18H16N6O/c1-2-14-16-15(13(9-19)17(20)25-18(16)23-22-14)11-3-5-12(6-4-11)24-8-7-21-10-24/h3-8,10,15H,2,20H2,1H3,(H,22,23)
InChIKeyIVCYYBJCYVDWGF-UHFFFAOYSA-N
XLogP2.38
TPSA105.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-ethyl-4-(4-imidazol-1-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-3-ethyl-4-(4-imidazol-1-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 135132933) is 6-amino-3-ethyl-4-(4-imidazol-1-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-3-ethyl-4-(4-imidazol-1-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-3-ethyl-4-(4-imidazol-1-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CCc1[nH]nc2c1C(c1ccc(-n3ccnc3)cc1)C(C#N)=C(N)O2.
What is the InChIKey of 6-amino-3-ethyl-4-(4-imidazol-1-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is IVCYYBJCYVDWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-2-14-16-15(13(9-19)17(20)25-18(16)23-22-14)11-3-5-12(6-4-11)24-8-7-21-10-24/h3-8,10,15H,2,20H2,1H3,(H,22,23).
What are the key properties of 6-amino-3-ethyl-4-(4-imidazol-1-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-3-ethyl-4-(4-imidazol-1-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 332.37 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-ethyl-4-(4-imidazol-1-ylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 135132933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).