2-(2-fluorophenyl)-9-hydroxy-5-[(4-pyrazol-1-ylphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinolin-3-one

C26H22FN5O2 — CID 51347629

IUPAC2-(2-fluorophenyl)-9-hydroxy-5-[(4-pyrazol-1-ylphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinolin-3-one
SMILESO=c1c2cn(Cc3ccc(-n4cccn4)cc3)c3c(c-2nn1-c1ccccc1F)C(O)CCC3
InChIInChI=1S/C26H22FN5O2/c27-20-5-1-2-6-21(20)32-26(34)19-16-30(22-7-3-8-23(33)24(22)25(19)29-32)15-17-9-11-18(12-10-17)31-14-4-13-28-31/h1-2,4-6,9-14,16,23,33H,3,7-8,15H2
InChIKeyAYTNNCFDBYDMEE-UHFFFAOYSA-N
MW455.49 g/mol
LogP3.88
Rot. Bonds4

About 2-(2-fluorophenyl)-9-hydroxy-5-[(4-pyrazol-1-ylphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinolin-3-one

2-(2-fluorophenyl)-9-hydroxy-5-[(4-pyrazol-1-ylphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinolin-3-one (PubChem CID 51347629) has the molecular formula C26H22FN5O2 and a molecular weight of 455.49 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-9-hydroxy-5-[(4-pyrazol-1-ylphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-9-hydroxy-5-[(4-pyrazol-1-ylphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinolin-3-one
PubChem CID51347629
Molecular FormulaC26H22FN5O2
Molecular Weight455.49 g/mol
Exact Mass455.18
IUPAC Name2-(2-fluorophenyl)-9-hydroxy-5-[(4-pyrazol-1-ylphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinolin-3-one
SMILESO=c1c2cn(Cc3ccc(-n4cccn4)cc3)c3c(c-2nn1-c1ccccc1F)C(O)CCC3
InChIInChI=1S/C26H22FN5O2/c27-20-5-1-2-6-21(20)32-26(34)19-16-30(22-7-3-8-23(33)24(22)25(19)29-32)15-17-9-11-18(12-10-17)31-14-4-13-28-31/h1-2,4-6,9-14,16,23,33H,3,7-8,15H2
InChIKeyAYTNNCFDBYDMEE-UHFFFAOYSA-N
XLogP3.88
TPSA77.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(2-fluorophenyl)-9-hydroxy-5-[(4-pyrazol-1-ylphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinolin-3-one 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 2-(2-fluorophenyl)-9-hydroxy-5-[(4-pyrazol-1-ylphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 2-(2-fluorophenyl)-9-hydroxy-5-[(4-pyrazol-1-ylphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinolin-3-one (CID 51347629) is 2-(2-fluorophenyl)-9-hydroxy-5-[(4-pyrazol-1-ylphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 2-(2-fluorophenyl)-9-hydroxy-5-[(4-pyrazol-1-ylphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 2-(2-fluorophenyl)-9-hydroxy-5-[(4-pyrazol-1-ylphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinolin-3-one is O=c1c2cn(Cc3ccc(-n4cccn4)cc3)c3c(c-2nn1-c1ccccc1F)C(O)CCC3.
What is the InChIKey of 2-(2-fluorophenyl)-9-hydroxy-5-[(4-pyrazol-1-ylphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinolin-3-one?
The InChIKey is AYTNNCFDBYDMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O2/c27-20-5-1-2-6-21(20)32-26(34)19-16-30(22-7-3-8-23(33)24(22)25(19)29-32)15-17-9-11-18(12-10-17)31-14-4-13-28-31/h1-2,4-6,9-14,16,23,33H,3,7-8,15H2.
What are the key properties of 2-(2-fluorophenyl)-9-hydroxy-5-[(4-pyrazol-1-ylphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinolin-3-one?
2-(2-fluorophenyl)-9-hydroxy-5-[(4-pyrazol-1-ylphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinolin-3-one has a molecular weight of 455.49 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-9-hydroxy-5-[(4-pyrazol-1-ylphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 51347629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).