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

C23H23ClFN7O2 — CID 135869748

IUPAC1-[4-[4-chloro-3-(2-fluoroethoxy)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone
SMILESO=C(Cn1nc(-c2ncc[nH]2)c2cccnc21)N1CCN(c2ccc(Cl)c(OCCF)c2)CC1
InChIInChI=1S/C23H23ClFN7O2/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/h1-4,6-8,14H,5,9-13,15H2,(H,26,27)
InChIKeyTUGUWSNQVPXKIK-UHFFFAOYSA-N
MW483.94 g/mol
LogP3.17
Rot. Bonds7

About 1-[4-[4-chloro-3-(2-fluoroethoxy)phenyl]piperazin-1-yl]-2-[3-(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-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone (PubChem CID 135869748) has the molecular formula C23H23ClFN7O2 and a molecular weight of 483.94 g/mol. Its IUPAC name is 1-[4-[4-chloro-3-(2-fluoroethoxy)phenyl]piperazin-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]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone
PubChem CID135869748
Molecular FormulaC23H23ClFN7O2
Molecular Weight483.94 g/mol
Exact Mass483.16
IUPAC Name1-[4-[4-chloro-3-(2-fluoroethoxy)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone
SMILESO=C(Cn1nc(-c2ncc[nH]2)c2cccnc21)N1CCN(c2ccc(Cl)c(OCCF)c2)CC1
InChIInChI=1S/C23H23ClFN7O2/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/h1-4,6-8,14H,5,9-13,15H2,(H,26,27)
InChIKeyTUGUWSNQVPXKIK-UHFFFAOYSA-N
XLogP3.17
TPSA92.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.94
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-chloro-3-(2-fluoroethoxy)phenyl]piperazin-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]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone (CID 135869748) is 1-[4-[4-chloro-3-(2-fluoroethoxy)phenyl]piperazin-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]piperazin-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]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone is O=C(Cn1nc(-c2ncc[nH]2)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-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone?
The InChIKey is TUGUWSNQVPXKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN7O2/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/h1-4,6-8,14H,5,9-13,15H2,(H,26,27).
What are the key properties of 1-[4-[4-chloro-3-(2-fluoroethoxy)phenyl]piperazin-1-yl]-2-[3-(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-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone has a molecular weight of 483.94 g/mol, XLogP of 3.17, 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]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone is sourced from PubChem (CID 135869748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).