4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one

C26H23F2N5O — CID 163201782

IUPAC4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one
SMILESO=c1c(CCc2ccc(F)cc2)c(CCCc2ccc(F)cc2)[nH]n1-c1nc2ncccc2[nH]1
InChIInChI=1S/C26H23F2N5O/c27-19-11-6-17(7-12-19)3-1-4-22-21(15-10-18-8-13-20(28)14-9-18)25(34)33(32-22)26-30-23-5-2-16-29-24(23)31-26/h2,5-9,11-14,16,32H,1,3-4,10,15H2,(H,29,30,31)
InChIKeyNXBKFHIDOSUGOF-UHFFFAOYSA-N
MW459.50 g/mol
LogP4.68
Rot. Bonds8

About 4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one

4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one (PubChem CID 163201782) has the molecular formula C26H23F2N5O and a molecular weight of 459.50 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one
PubChem CID163201782
Molecular FormulaC26H23F2N5O
Molecular Weight459.50 g/mol
Exact Mass459.19
IUPAC Name4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one
SMILESO=c1c(CCc2ccc(F)cc2)c(CCCc2ccc(F)cc2)[nH]n1-c1nc2ncccc2[nH]1
InChIInChI=1S/C26H23F2N5O/c27-19-11-6-17(7-12-19)3-1-4-22-21(15-10-18-8-13-20(28)14-9-18)25(34)33(32-22)26-30-23-5-2-16-29-24(23)31-26/h2,5-9,11-14,16,32H,1,3-4,10,15H2,(H,29,30,31)
InChIKeyNXBKFHIDOSUGOF-UHFFFAOYSA-N
XLogP4.68
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-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

Related Compounds

N-[[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]methyl]pyridine-3-sulfonamide
CID 146568881
2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrazol-3-one
CID 146569118
2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 155925824
tert-butyl 4-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]benzoate
CID 146569157
tert-butyl 6-[2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-3-oxo-1H-pyrazol-5-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 163201709
2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[4-(2,4,6-trihydroxybenzoyl)cyclohexyl]-1H-pyrazol-3-one
CID 155925584
2-(5-fluoro-2-pyridinyl)-1H-imidazo[4,5-b]pyridine
CID 104639107
CID 59368109
CID 59368109
1-(5-chloropentyl)-4-fluorobenzene
CID 57030730
3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-pyrido[2,3-b]pyrazin-2-one
CID 135580950
8-[2-(4-fluorophenyl)ethyl]quinoline
CID 143373037
2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-2-yl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(4-fluorophenyl)ethyl]-5-[1-(2-morpholin-4-ylacetyl)pyrrolidin-2-yl]-1H-pyrazol-3-one
CID 167562597

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one?
The IUPAC name of 4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one (CID 163201782) is 4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one.
What is the SMILES notation for 4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one?
The canonical SMILES for 4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one is O=c1c(CCc2ccc(F)cc2)c(CCCc2ccc(F)cc2)[nH]n1-c1nc2ncccc2[nH]1.
What is the InChIKey of 4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one?
The InChIKey is NXBKFHIDOSUGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N5O/c27-19-11-6-17(7-12-19)3-1-4-22-21(15-10-18-8-13-20(28)14-9-18)25(34)33(32-22)26-30-23-5-2-16-29-24(23)31-26/h2,5-9,11-14,16,32H,1,3-4,10,15H2,(H,29,30,31).
What are the key properties of 4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one?
4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one has a molecular weight of 459.50 g/mol, XLogP of 4.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)ethyl]-5-[3-(4-fluorophenyl)propyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-one is sourced from PubChem (CID 163201782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).