6-amino-3-ethyl-4-[4-(2-methylimidazol-1-yl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C19H18N6O — CID 135132720

IUPAC6-amino-3-ethyl-4-[4-(2-methylimidazol-1-yl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCc1[nH]nc2c1C(c1ccc(-n3ccnc3C)cc1)C(C#N)=C(N)O2
InChIInChI=1S/C19H18N6O/c1-3-15-17-16(14(10-20)18(21)26-19(17)24-23-15)12-4-6-13(7-5-12)25-9-8-22-11(25)2/h4-9,16H,3,21H2,1-2H3,(H,23,24)
InChIKeyUBPAODBBEUENBP-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.68
Rot. Bonds3

About 6-amino-3-ethyl-4-[4-(2-methylimidazol-1-yl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-3-ethyl-4-[4-(2-methylimidazol-1-yl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 135132720) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 6-amino-3-ethyl-4-[4-(2-methylimidazol-1-yl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-ethyl-4-[4-(2-methylimidazol-1-yl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID135132720
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name6-amino-3-ethyl-4-[4-(2-methylimidazol-1-yl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCc1[nH]nc2c1C(c1ccc(-n3ccnc3C)cc1)C(C#N)=C(N)O2
InChIInChI=1S/C19H18N6O/c1-3-15-17-16(14(10-20)18(21)26-19(17)24-23-15)12-4-6-13(7-5-12)25-9-8-22-11(25)2/h4-9,16H,3,21H2,1-2H3,(H,23,24)
InChIKeyUBPAODBBEUENBP-UHFFFAOYSA-N
XLogP2.68
TPSA105.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-amino-3-ethyl-4-[4-(2-methylimidazol-1-yl)phenyl]-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

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-ethyl-4-[4-(2-methylimidazol-1-yl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-3-ethyl-4-[4-(2-methylimidazol-1-yl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 135132720) is 6-amino-3-ethyl-4-[4-(2-methylimidazol-1-yl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-3-ethyl-4-[4-(2-methylimidazol-1-yl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-3-ethyl-4-[4-(2-methylimidazol-1-yl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CCc1[nH]nc2c1C(c1ccc(-n3ccnc3C)cc1)C(C#N)=C(N)O2.
What is the InChIKey of 6-amino-3-ethyl-4-[4-(2-methylimidazol-1-yl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is UBPAODBBEUENBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-3-15-17-16(14(10-20)18(21)26-19(17)24-23-15)12-4-6-13(7-5-12)25-9-8-22-11(25)2/h4-9,16H,3,21H2,1-2H3,(H,23,24).
What are the key properties of 6-amino-3-ethyl-4-[4-(2-methylimidazol-1-yl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-3-ethyl-4-[4-(2-methylimidazol-1-yl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 346.39 g/mol, XLogP of 2.68, 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-(2-methylimidazol-1-yl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 135132720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).