1-[4-[4-chloro-3-(2-fluoroethoxy)phenyl]-2-methylpiperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone

C24H25ClFN7O2 — CID 135882236

IUPAC1-[4-[4-chloro-3-(2-fluoroethoxy)phenyl]-2-methylpiperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone
SMILESCC1CN(c2ccc(Cl)c(OCCF)c2)CCN1C(=O)Cn1nc(-c2ncc[nH]2)c2cccnc21
InChIInChI=1S/C24H25ClFN7O2/c1-16-14-31(17-4-5-19(25)20(13-17)35-12-6-26)10-11-32(16)21(34)15-33-24-18(3-2-7-29-24)22(30-33)23-27-8-9-28-23/h2-5,7-9,13,16H,6,10-12,14-15H2,1H3,(H,27,28)
InChIKeyWZLNJOYVRDVGDS-UHFFFAOYSA-N
MW497.96 g/mol
LogP3.56
Rot. Bonds7

About 1-[4-[4-chloro-3-(2-fluoroethoxy)phenyl]-2-methylpiperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone

1-[4-[4-chloro-3-(2-fluoroethoxy)phenyl]-2-methylpiperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone (PubChem CID 135882236) has the molecular formula C24H25ClFN7O2 and a molecular weight of 497.96 g/mol. Its IUPAC name is 1-[4-[4-chloro-3-(2-fluoroethoxy)phenyl]-2-methylpiperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-chloro-3-(2-fluoroethoxy)phenyl]-2-methylpiperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone
PubChem CID135882236
Molecular FormulaC24H25ClFN7O2
Molecular Weight497.96 g/mol
Exact Mass497.17
IUPAC Name1-[4-[4-chloro-3-(2-fluoroethoxy)phenyl]-2-methylpiperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone
SMILESCC1CN(c2ccc(Cl)c(OCCF)c2)CCN1C(=O)Cn1nc(-c2ncc[nH]2)c2cccnc21
InChIInChI=1S/C24H25ClFN7O2/c1-16-14-31(17-4-5-19(25)20(13-17)35-12-6-26)10-11-32(16)21(34)15-33-24-18(3-2-7-29-24)22(30-33)23-27-8-9-28-23/h2-5,7-9,13,16H,6,10-12,14-15H2,1H3,(H,27,28)
InChIKeyWZLNJOYVRDVGDS-UHFFFAOYSA-N
XLogP3.56
TPSA92.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.96
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-[4-chloro-3-(2-fluoroethoxy)phenyl]-2-methylpiperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone 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 1-[4-[4-chloro-3-(2-fluoroethoxy)phenyl]-2-methylpiperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-chloro-3-(2-fluoroethoxy)phenyl]-2-methylpiperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone (CID 135882236) is 1-[4-[4-chloro-3-(2-fluoroethoxy)phenyl]-2-methylpiperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-chloro-3-(2-fluoroethoxy)phenyl]-2-methylpiperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-chloro-3-(2-fluoroethoxy)phenyl]-2-methylpiperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone is CC1CN(c2ccc(Cl)c(OCCF)c2)CCN1C(=O)Cn1nc(-c2ncc[nH]2)c2cccnc21.
What is the InChIKey of 1-[4-[4-chloro-3-(2-fluoroethoxy)phenyl]-2-methylpiperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone?
The InChIKey is WZLNJOYVRDVGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN7O2/c1-16-14-31(17-4-5-19(25)20(13-17)35-12-6-26)10-11-32(16)21(34)15-33-24-18(3-2-7-29-24)22(30-33)23-27-8-9-28-23/h2-5,7-9,13,16H,6,10-12,14-15H2,1H3,(H,27,28).
What are the key properties of 1-[4-[4-chloro-3-(2-fluoroethoxy)phenyl]-2-methylpiperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone?
1-[4-[4-chloro-3-(2-fluoroethoxy)phenyl]-2-methylpiperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone has a molecular weight of 497.96 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-chloro-3-(2-fluoroethoxy)phenyl]-2-methylpiperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone is sourced from PubChem (CID 135882236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).