(4R)-4-[(1R)-1-[7-[6-(difluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;methane;2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate

C64H69F2N11O9 — CID 157408498

IUPAC(4R)-4-[(1R)-1-[7-[6-(difluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;methane;2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate
SMILESC.CC(=O)OCCn1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cn1.C[C@@H](Oc1cc(-c2ccc(C(F)F)nc2)cc2ncccc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1cc(-c2cnn(CCO)c2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C22H24N4O4.C21H19F2N3O2.C20H22N4O3.CH4/c1-14(17-10-22(28)24-11-17)30-21-9-16(8-20-19(21)4-3-5-23-20)18-12-25-26(13-18)6-7-29-15(2)27;1-12(15-9-20(27)26-11-15)28-19-8-14(7-18-16(19)3-2-6-24-18)13-4-5-17(21(22)23)25-10-13;1-13(15-9-20(26)22-10-15)27-19-8-14(7-18-17(19)3-2-4-21-18)16-11-23-24(12-16)5-6-25;/h3-5,8-9,12-14,17H,6-7,10-11H2,1-2H3,(H,24,28);2-8,10,12,15,21H,9,11H2,1H3,(H,26,27);2-4,7-8,11-13,15,25H,5-6,9-10H2,1H3,(H,22,26);1H4/t14-,17-;12-,15-;13-,15-;/m111./s1
InChIKeyBNZTURAKOJZIEF-FTEUSTPDSA-N
MW1174.32 g/mol
LogP9.33
Rot. Bonds18

About (4R)-4-[(1R)-1-[7-[6-(difluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;methane;2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate

(4R)-4-[(1R)-1-[7-[6-(difluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;methane;2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate (PubChem CID 157408498) has the molecular formula C64H69F2N11O9 and a molecular weight of 1174.32 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[7-[6-(difluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;methane;2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[7-[6-(difluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;methane;2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate
PubChem CID157408498
Molecular FormulaC64H69F2N11O9
Molecular Weight1174.32 g/mol
Exact Mass1173.52
IUPAC Name(4R)-4-[(1R)-1-[7-[6-(difluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;methane;2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate
SMILESC.CC(=O)OCCn1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cn1.C[C@@H](Oc1cc(-c2ccc(C(F)F)nc2)cc2ncccc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1cc(-c2cnn(CCO)c2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C22H24N4O4.C21H19F2N3O2.C20H22N4O3.CH4/c1-14(17-10-22(28)24-11-17)30-21-9-16(8-20-19(21)4-3-5-23-20)18-12-25-26(13-18)6-7-29-15(2)27;1-12(15-9-20(27)26-11-15)28-19-8-14(7-18-16(19)3-2-6-24-18)13-4-5-17(21(22)23)25-10-13;1-13(15-9-20(26)22-10-15)27-19-8-14(7-18-17(19)3-2-4-21-18)16-11-23-24(12-16)5-6-25;/h3-5,8-9,12-14,17H,6-7,10-11H2,1-2H3,(H,24,28);2-8,10,12,15,21H,9,11H2,1H3,(H,26,27);2-4,7-8,11-13,15,25H,5-6,9-10H2,1H3,(H,22,26);1H4/t14-,17-;12-,15-;13-,15-;/m111./s1
InChIKeyBNZTURAKOJZIEF-FTEUSTPDSA-N
XLogP9.33
TPSA248.72 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001174.32
LogP ≤ 59.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze (4R)-4-[(1R)-1-[7-[6-(difluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;methane;2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate with MolForge

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Related Compounds

(4R)-4-[(1R)-1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71238417
2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate
CID 71238651
(4R)-4-[(1R)-1-[7-(1-methylindazol-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241911
(4R)-4-[(1R)-1-[7-[1-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241957
(4R)-4-[(1R)-1-[7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241987
4-[1-[7-[1-(Trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 77993737
4-[1-[7-[1-Methyl-3-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 78045130
(4R)-4-[(1R)-1-[7-[1-(1,1-difluoroethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 117753326
4-[(1R)-1-[7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 122512463
4-[(1R)-1-[7-[1-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 122512494
4-[[7-[1-Methyl-3-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one
CID 123646249
(4R)-4-[[7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one
CID 144516371

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[7-[6-(difluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;methane;2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate?
The IUPAC name of (4R)-4-[(1R)-1-[7-[6-(difluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;methane;2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate (CID 157408498) is (4R)-4-[(1R)-1-[7-[6-(difluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;methane;2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate.
What is the SMILES notation for (4R)-4-[(1R)-1-[7-[6-(difluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;methane;2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate?
The canonical SMILES for (4R)-4-[(1R)-1-[7-[6-(difluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;methane;2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate is C.CC(=O)OCCn1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cn1.C[C@@H](Oc1cc(-c2ccc(C(F)F)nc2)cc2ncccc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1cc(-c2cnn(CCO)c2)cc2ncccc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[7-[6-(difluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;methane;2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate?
The InChIKey is BNZTURAKOJZIEF-FTEUSTPDSA-N. The full InChI is InChI=1S/C22H24N4O4.C21H19F2N3O2.C20H22N4O3.CH4/c1-14(17-10-22(28)24-11-17)30-21-9-16(8-20-19(21)4-3-5-23-20)18-12-25-26(13-18)6-7-29-15(2)27;1-12(15-9-20(27)26-11-15)28-19-8-14(7-18-16(19)3-2-6-24-18)13-4-5-17(21(22)23)25-10-13;1-13(15-9-20(26)22-10-15)27-19-8-14(7-18-17(19)3-2-4-21-18)16-11-23-24(12-16)5-6-25;/h3-5,8-9,12-14,17H,6-7,10-11H2,1-2H3,(H,24,28);2-8,10,12,15,21H,9,11H2,1H3,(H,26,27);2-4,7-8,11-13,15,25H,5-6,9-10H2,1H3,(H,22,26);1H4/t14-,17-;12-,15-;13-,15-;/m111./s1.
What are the key properties of (4R)-4-[(1R)-1-[7-[6-(difluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;methane;2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate?
(4R)-4-[(1R)-1-[7-[6-(difluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;methane;2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate has a molecular weight of 1174.32 g/mol, XLogP of 9.33, 18 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[7-[6-(difluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;methane;2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate is sourced from PubChem (CID 157408498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).