5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-(4-fluorophenyl)-3,7-dimethylpyrazolo[5,4-b]pyridin-4-one

C25H23ClFN5O2 — CID 50829319

IUPAC5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-(4-fluorophenyl)-3,7-dimethylpyrazolo[5,4-b]pyridin-4-one
SMILESCc1nn(-c2ccc(F)cc2)c2c1c(=O)c(C(=O)N1CCN(c3ccc(Cl)cc3)CC1)cn2C
InChIInChI=1S/C25H23ClFN5O2/c1-16-22-23(33)21(15-29(2)24(22)32(28-16)20-9-5-18(27)6-10-20)25(34)31-13-11-30(12-14-31)19-7-3-17(26)4-8-19/h3-10,15H,11-14H2,1-2H3
InChIKeyATPWTBGNCLUVIE-UHFFFAOYSA-N
MW479.94 g/mol
LogP3.79
Rot. Bonds3

About 5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-(4-fluorophenyl)-3,7-dimethylpyrazolo[5,4-b]pyridin-4-one

5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-(4-fluorophenyl)-3,7-dimethylpyrazolo[5,4-b]pyridin-4-one (PubChem CID 50829319) has the molecular formula C25H23ClFN5O2 and a molecular weight of 479.94 g/mol. Its IUPAC name is 5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-(4-fluorophenyl)-3,7-dimethylpyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-(4-fluorophenyl)-3,7-dimethylpyrazolo[5,4-b]pyridin-4-one
PubChem CID50829319
Molecular FormulaC25H23ClFN5O2
Molecular Weight479.94 g/mol
Exact Mass479.15
IUPAC Name5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-(4-fluorophenyl)-3,7-dimethylpyrazolo[5,4-b]pyridin-4-one
SMILESCc1nn(-c2ccc(F)cc2)c2c1c(=O)c(C(=O)N1CCN(c3ccc(Cl)cc3)CC1)cn2C
InChIInChI=1S/C25H23ClFN5O2/c1-16-22-23(33)21(15-29(2)24(22)32(28-16)20-9-5-18(27)6-10-20)25(34)31-13-11-30(12-14-31)19-7-3-17(26)4-8-19/h3-10,15H,11-14H2,1-2H3
InChIKeyATPWTBGNCLUVIE-UHFFFAOYSA-N
XLogP3.79
TPSA63.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.94
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-(4-fluorophenyl)-3,7-dimethylpyrazolo[5,4-b]pyridin-4-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-cyclopropyl-1-(4-fluorophenyl)-3,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide
CID 50829330
[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 2018052
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
(5-chloro-1,3-dimethylpyrazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 18282259
(2-chloro-4-methylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 100520261
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2,9-dimethylpyrido[3,4-b]indol-1-one
CID 4625262
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 26721215
(2,5-dichlorophenyl)-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methanone
CID 87029906
(2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46797435
[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 90602016
5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1,3,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione
CID 53027853
2-(4-chlorophenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 113197527

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-(4-fluorophenyl)-3,7-dimethylpyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-(4-fluorophenyl)-3,7-dimethylpyrazolo[5,4-b]pyridin-4-one (CID 50829319) is 5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-(4-fluorophenyl)-3,7-dimethylpyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-(4-fluorophenyl)-3,7-dimethylpyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-(4-fluorophenyl)-3,7-dimethylpyrazolo[5,4-b]pyridin-4-one is Cc1nn(-c2ccc(F)cc2)c2c1c(=O)c(C(=O)N1CCN(c3ccc(Cl)cc3)CC1)cn2C.
What is the InChIKey of 5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-(4-fluorophenyl)-3,7-dimethylpyrazolo[5,4-b]pyridin-4-one?
The InChIKey is ATPWTBGNCLUVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN5O2/c1-16-22-23(33)21(15-29(2)24(22)32(28-16)20-9-5-18(27)6-10-20)25(34)31-13-11-30(12-14-31)19-7-3-17(26)4-8-19/h3-10,15H,11-14H2,1-2H3.
What are the key properties of 5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-(4-fluorophenyl)-3,7-dimethylpyrazolo[5,4-b]pyridin-4-one?
5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-(4-fluorophenyl)-3,7-dimethylpyrazolo[5,4-b]pyridin-4-one has a molecular weight of 479.94 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-(4-fluorophenyl)-3,7-dimethylpyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 50829319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).