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

C57H60Br3Cl2N9O8 — CID 158179284

IUPAC(4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-bromopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
SMILESCOc1ccc([C@@H](C)N2C[C@H]([C@@H](C)Oc3cc(Br)cn4ncc(Cl)c34)CC2=O)cc1.COc1ccc([C@@H](C)N2C[C@H]([C@@H](C)Oc3cc(Br)cn4nccc34)CC2=O)cc1.C[C@@H](Oc1cc(Br)cn2ncc(Cl)c12)[C@H]1CNC(=O)C1
InChIInChI=1S/C22H23BrClN3O3.C22H24BrN3O3.C13H13BrClN3O2/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;1-14(16-4-6-19(28-3)7-5-16)25-12-17(10-22(25)27)15(2)29-21-11-18(23)13-26-20(21)8-9-24-26;1-7(8-2-12(19)16-4-8)20-11-3-9(14)6-18-13(11)10(15)5-17-18/h4-7,9-10,12-14,16H,8,11H2,1-3H3;4-9,11,13-15,17H,10,12H2,1-3H3;3,5-8H,2,4H2,1H3,(H,16,19)/t13-,14-,16-;14-,15-,17-;7-,8-/m111/s1
InChIKeyFYJMVJMPVJGWNC-UJGWFMGXSA-N
MW1309.78 g/mol
LogP12.27
Rot. Bonds15

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

(4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-bromopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (PubChem CID 158179284) has the molecular formula C57H60Br3Cl2N9O8 and a molecular weight of 1309.78 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-bromopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-bromopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
PubChem CID158179284
Molecular FormulaC57H60Br3Cl2N9O8
Molecular Weight1309.78 g/mol
Exact Mass1305.15
IUPAC Name(4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-bromopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
SMILESCOc1ccc([C@@H](C)N2C[C@H]([C@@H](C)Oc3cc(Br)cn4ncc(Cl)c34)CC2=O)cc1.COc1ccc([C@@H](C)N2C[C@H]([C@@H](C)Oc3cc(Br)cn4nccc34)CC2=O)cc1.C[C@@H](Oc1cc(Br)cn2ncc(Cl)c12)[C@H]1CNC(=O)C1
InChIInChI=1S/C22H23BrClN3O3.C22H24BrN3O3.C13H13BrClN3O2/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;1-14(16-4-6-19(28-3)7-5-16)25-12-17(10-22(25)27)15(2)29-21-11-18(23)13-26-20(21)8-9-24-26;1-7(8-2-12(19)16-4-8)20-11-3-9(14)6-18-13(11)10(15)5-17-18/h4-7,9-10,12-14,16H,8,11H2,1-3H3;4-9,11,13-15,17H,10,12H2,1-3H3;3,5-8H,2,4H2,1H3,(H,16,19)/t13-,14-,16-;14-,15-,17-;7-,8-/m111/s1
InChIKeyFYJMVJMPVJGWNC-UJGWFMGXSA-N
XLogP12.27
TPSA167.77 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001309.78
LogP ≤ 512.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze (4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-bromopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one with MolForge

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Related Compounds

(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-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 117851335
4-[1-[3-Chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 123136908
4-[1-(6-Bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 123605187
(4R)-4-[(1R)-1-(6-bromopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;tert-butyl 4-[6-[4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-pyridinyl]piperazine-1-carboxylate;(4R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 157412330
(4R)-4-[(1R)-1-[3-chloro-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]pyrrolidin-2-one
CID 157445580
6-[4-(4-acetylpiperazin-1-yl)phenyl]-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyrazine-3-carbonitrile;6-chloro-4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyrazine-3-carbonitrile;4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 157660762
(4R)-4-[(1R)-1-(6-bromopyrazolo[1,5-a]pyrazin-4-yl)oxyethyl]pyrrolidin-2-one;tert-butyl 4-[2-methoxy-4-[4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyrazin-6-yl]phenyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)oxyethyl]pyrrolidin-2-one
CID 157691612
(4R)-4-[(1R)-1-(6-bromo-2-methylpyrazolo[1,5-a]pyridin-4-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;1-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 157721597
4-[4-(4-chloro-3-methylpyrazolo[1,5-a]pyrazin-6-yl)phenyl]morpholine;(4R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-[3-methyl-6-(4-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]pyrrolidin-2-one
CID 157745649
(4R)-4-[(1R)-1-(6-chloro-3-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-chloro-3-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyethyl]pyrrolidin-2-one
CID 157781403

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-bromopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-bromopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (CID 158179284) is (4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-bromopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-bromopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-bromopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is COc1ccc([C@@H](C)N2C[C@H]([C@@H](C)Oc3cc(Br)cn4ncc(Cl)c34)CC2=O)cc1.COc1ccc([C@@H](C)N2C[C@H]([C@@H](C)Oc3cc(Br)cn4nccc34)CC2=O)cc1.C[C@@H](Oc1cc(Br)cn2ncc(Cl)c12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-bromopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The InChIKey is FYJMVJMPVJGWNC-UJGWFMGXSA-N. The full InChI is InChI=1S/C22H23BrClN3O3.C22H24BrN3O3.C13H13BrClN3O2/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;1-14(16-4-6-19(28-3)7-5-16)25-12-17(10-22(25)27)15(2)29-21-11-18(23)13-26-20(21)8-9-24-26;1-7(8-2-12(19)16-4-8)20-11-3-9(14)6-18-13(11)10(15)5-17-18/h4-7,9-10,12-14,16H,8,11H2,1-3H3;4-9,11,13-15,17H,10,12H2,1-3H3;3,5-8H,2,4H2,1H3,(H,16,19)/t13-,14-,16-;14-,15-,17-;7-,8-/m111/s1.
What are the key properties of (4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-bromopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-bromopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one has a molecular weight of 1309.78 g/mol, XLogP of 12.27, 15 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-bromopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 158179284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).