6-amino-4-(2-fluorophenyl)-1-phenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile

C22H19FN4O — CID 3726704

IUPAC6-amino-4-(2-fluorophenyl)-1-phenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
SMILESCCCc1nn(-c2ccccc2)c2c1C(c1ccccc1F)C(C#N)=C(N)O2
InChIInChI=1S/C22H19FN4O/c1-2-8-18-20-19(15-11-6-7-12-17(15)23)16(13-24)21(25)28-22(20)27(26-18)14-9-4-3-5-10-14/h3-7,9-12,19H,2,8,25H2,1H3
InChIKeyCJGKFUISSXUDTN-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.18
Rot. Bonds4

About 6-amino-4-(2-fluorophenyl)-1-phenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile

6-amino-4-(2-fluorophenyl)-1-phenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile (PubChem CID 3726704) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is 6-amino-4-(2-fluorophenyl)-1-phenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(2-fluorophenyl)-1-phenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
PubChem CID3726704
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC Name6-amino-4-(2-fluorophenyl)-1-phenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
SMILESCCCc1nn(-c2ccccc2)c2c1C(c1ccccc1F)C(C#N)=C(N)O2
InChIInChI=1S/C22H19FN4O/c1-2-8-18-20-19(15-11-6-7-12-17(15)23)16(13-24)21(25)28-22(20)27(26-18)14-9-4-3-5-10-14/h3-7,9-12,19H,2,8,25H2,1H3
InChIKeyCJGKFUISSXUDTN-UHFFFAOYSA-N
XLogP4.18
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-amino-4-(2-fluorophenyl)-1-phenyl-3-propyl-4H-pyrano[3,2-d]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-4-(2-fluorophenyl)-1-phenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-(2-fluorophenyl)-1-phenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile (CID 3726704) is 6-amino-4-(2-fluorophenyl)-1-phenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-(2-fluorophenyl)-1-phenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-(2-fluorophenyl)-1-phenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile is CCCc1nn(-c2ccccc2)c2c1C(c1ccccc1F)C(C#N)=C(N)O2.
What is the InChIKey of 6-amino-4-(2-fluorophenyl)-1-phenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
The InChIKey is CJGKFUISSXUDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O/c1-2-8-18-20-19(15-11-6-7-12-17(15)23)16(13-24)21(25)28-22(20)27(26-18)14-9-4-3-5-10-14/h3-7,9-12,19H,2,8,25H2,1H3.
What are the key properties of 6-amino-4-(2-fluorophenyl)-1-phenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?
6-amino-4-(2-fluorophenyl)-1-phenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile has a molecular weight of 374.42 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(2-fluorophenyl)-1-phenyl-3-propyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile is sourced from PubChem (CID 3726704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).