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

C23H25ClFN7O2 — CID 89125392

IUPAC1-[4-[4-chloro-3-(2-fluoroethoxy)phenyl]piperazin-1-yl]-2-[3-(4,5-dihydro-1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone
SMILESO=C(Cn1nc(C2=NCCN2)c2cccnc21)N1CCN(c2ccc(Cl)c(OCCF)c2)CC1
InChIInChI=1S/C23H25ClFN7O2/c24-18-4-3-16(14-19(18)34-13-5-25)30-9-11-31(12-10-30)20(33)15-32-23-17(2-1-6-28-23)21(29-32)22-26-7-8-27-22/h1-4,6,14H,5,7-13,15H2,(H,26,27)
InChIKeyNFTJHTJOSDWGNM-UHFFFAOYSA-N
MW485.95 g/mol
LogP2.13
Rot. Bonds7

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

1-[4-[4-chloro-3-(2-fluoroethoxy)phenyl]piperazin-1-yl]-2-[3-(4,5-dihydro-1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone (PubChem CID 89125392) has the molecular formula C23H25ClFN7O2 and a molecular weight of 485.95 g/mol. Its IUPAC name is 1-[4-[4-chloro-3-(2-fluoroethoxy)phenyl]piperazin-1-yl]-2-[3-(4,5-dihydro-1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-chloro-3-(2-fluoroethoxy)phenyl]piperazin-1-yl]-2-[3-(4,5-dihydro-1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone
PubChem CID89125392
Molecular FormulaC23H25ClFN7O2
Molecular Weight485.95 g/mol
Exact Mass485.17
IUPAC Name1-[4-[4-chloro-3-(2-fluoroethoxy)phenyl]piperazin-1-yl]-2-[3-(4,5-dihydro-1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone
SMILESO=C(Cn1nc(C2=NCCN2)c2cccnc21)N1CCN(c2ccc(Cl)c(OCCF)c2)CC1
InChIInChI=1S/C23H25ClFN7O2/c24-18-4-3-16(14-19(18)34-13-5-25)30-9-11-31(12-10-30)20(33)15-32-23-17(2-1-6-28-23)21(29-32)22-26-7-8-27-22/h1-4,6,14H,5,7-13,15H2,(H,26,27)
InChIKeyNFTJHTJOSDWGNM-UHFFFAOYSA-N
XLogP2.13
TPSA87.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.95
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-[4-chloro-3-(2-fluoroethoxy)phenyl]piperazin-1-yl]-2-[3-(4,5-dihydro-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]piperazin-1-yl]-2-[3-(4,5-dihydro-1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-chloro-3-(2-fluoroethoxy)phenyl]piperazin-1-yl]-2-[3-(4,5-dihydro-1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone (CID 89125392) is 1-[4-[4-chloro-3-(2-fluoroethoxy)phenyl]piperazin-1-yl]-2-[3-(4,5-dihydro-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]piperazin-1-yl]-2-[3-(4,5-dihydro-1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-chloro-3-(2-fluoroethoxy)phenyl]piperazin-1-yl]-2-[3-(4,5-dihydro-1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone is O=C(Cn1nc(C2=NCCN2)c2cccnc21)N1CCN(c2ccc(Cl)c(OCCF)c2)CC1.
What is the InChIKey of 1-[4-[4-chloro-3-(2-fluoroethoxy)phenyl]piperazin-1-yl]-2-[3-(4,5-dihydro-1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone?
The InChIKey is NFTJHTJOSDWGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN7O2/c24-18-4-3-16(14-19(18)34-13-5-25)30-9-11-31(12-10-30)20(33)15-32-23-17(2-1-6-28-23)21(29-32)22-26-7-8-27-22/h1-4,6,14H,5,7-13,15H2,(H,26,27).
What are the key properties of 1-[4-[4-chloro-3-(2-fluoroethoxy)phenyl]piperazin-1-yl]-2-[3-(4,5-dihydro-1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone?
1-[4-[4-chloro-3-(2-fluoroethoxy)phenyl]piperazin-1-yl]-2-[3-(4,5-dihydro-1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone has a molecular weight of 485.95 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-chloro-3-(2-fluoroethoxy)phenyl]piperazin-1-yl]-2-[3-(4,5-dihydro-1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone is sourced from PubChem (CID 89125392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).