4-[1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

C22H23BrClN3O3 — CID 123605187

IUPAC4-[1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
SMILESCOc1ccc(C(C)N2CC(C(C)Oc3cc(Br)cn4ncc(Cl)c34)CC2=O)cc1
InChIInChI=1S/C22H23BrClN3O3/c1-13(15-4-6-18(29-3)7-5-15)26-11-16(8-21(26)28)14(2)30-20-9-17(23)12-27-22(20)19(24)10-25-27/h4-7,9-10,12-14,16H,8,11H2,1-3H3
InChIKeyGBIVMRGQOOJXEO-UHFFFAOYSA-N
MW492.80 g/mol
LogP5.14
Rot. Bonds6

About 4-[1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

4-[1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (PubChem CID 123605187) has the molecular formula C22H23BrClN3O3 and a molecular weight of 492.80 g/mol. Its IUPAC name is 4-[1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
PubChem CID123605187
Molecular FormulaC22H23BrClN3O3
Molecular Weight492.80 g/mol
Exact Mass491.06
IUPAC Name4-[1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
SMILESCOc1ccc(C(C)N2CC(C(C)Oc3cc(Br)cn4ncc(Cl)c34)CC2=O)cc1
InChIInChI=1S/C22H23BrClN3O3/c1-13(15-4-6-18(29-3)7-5-15)26-11-16(8-21(26)28)14(2)30-20-9-17(23)12-27-22(20)19(24)10-25-27/h4-7,9-10,12-14,16H,8,11H2,1-3H3
InChIKeyGBIVMRGQOOJXEO-UHFFFAOYSA-N
XLogP5.14
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.80
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-Chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone
CID 44816769
(R)-4-((R)-1-((6-bromopyrazolo[1,5-a]pyridin-4-yl)oxy)ethyl)-1-((R)-1-(4-methoxyphenyl)ethyl)pyrrolidin-2-one
CID 117842669
4-[(1R)-1-(6-bromopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 117842670
(R)-4-((R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yloxy)ethyl)-1-((R)-1-(4-methoxyphenyl)ethyl)pyrrolidin-2-one
CID 117842827
4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 117842828
(4R)-4-[(1R)-1-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 117842842
4-[(1R)-1-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 117842843
tert-butyl 4-(4-(3-chloro-4-((R)-1-((R)-1-((R)-1-(4-methoxyphenyl)ethyl)-5-oxopyrrolidin-3-yl)ethoxy)pyrazolo[1,5-a]pyridin-6-yl)phenyl)piperazine-1-carboxylate
CID 117842929
tert-butyl 4-[4-[3-chloro-4-[(1R)-1-[1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]phenyl]piperazine-1-carboxylate
CID 117842930
(4R)-4-[(1R)-1-[3-chloro-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 117842951
4-[(1R)-1-[3-chloro-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 117842952
(4R)-4-[(1R)-1-[6-bromo-3-[(E)-hydroxyiminomethyl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 117842960

Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-[1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (CID 123605187) is 4-[1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is COc1ccc(C(C)N2CC(C(C)Oc3cc(Br)cn4ncc(Cl)c34)CC2=O)cc1.
What is the InChIKey of 4-[1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The InChIKey is GBIVMRGQOOJXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrClN3O3/c1-13(15-4-6-18(29-3)7-5-15)26-11-16(8-21(26)28)14(2)30-20-9-17(23)12-27-22(20)19(24)10-25-27/h4-7,9-10,12-14,16H,8,11H2,1-3H3.
What are the key properties of 4-[1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
4-[1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one has a molecular weight of 492.80 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 123605187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).