1-[1-[2-(azetidin-1-yl)ethyl]indazol-5-yl]-4-(4-cyclopropylphenoxy)-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-(3-hydroxy-3-methylazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-(3-methoxyazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one

C157H170N24O17 — CID 160922911

IUPAC1-[1-[2-(azetidin-1-yl)ethyl]indazol-5-yl]-4-(4-cyclopropylphenoxy)-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-(3-hydroxy-3-methylazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-(3-methoxyazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one
SMILESCC1(O)CN(CCn2ncc3cc(N4CC=C(Oc5ccc(C6CC6)cc5)C4=O)ccc32)C1.COC1CN(CCn2ncc3cc(N4CC=C(Oc5ccc(C6CC6)cc5)C4=O)ccc32)C1.O=C1C(Oc2ccc(C3CC3)cc2)=CCN1c1ccc2c(cnn2CCN2CCC2)c1.O=C1C(Oc2ccc(C3CC3)cc2)=CCN1c1ccc2c(cnn2CCN2CCC[C@@H]2CO)c1.O=C1C(Oc2ccc(C3CC3)cc2)=CCN1c1ccc2c(cnn2CCN2CCC[C@H]2CO)c1.O=C1C(Oc2ccc(C3CC3)cc2)=CCN1c1ccc2c(cnn2CCN2CC[C@@H](O)C2)c1
InChIInChI=1S/2C27H30N4O3.3C26H28N4O3.C25H26N4O2/c2*32-18-23-2-1-12-29(23)14-15-31-25-10-7-22(16-21(25)17-28-31)30-13-11-26(27(30)33)34-24-8-5-20(6-9-24)19-3-4-19;1-32-23-16-28(17-23)12-13-30-24-9-6-21(14-20(24)15-27-30)29-11-10-25(26(29)31)33-22-7-4-19(5-8-22)18-2-3-18;1-26(32)16-28(17-26)12-13-30-23-9-6-21(14-20(23)15-27-30)29-11-10-24(25(29)31)33-22-7-4-19(5-8-22)18-2-3-18;31-22-9-11-28(17-22)13-14-30-24-8-5-21(15-20(24)16-27-30)29-12-10-25(26(29)32)33-23-6-3-19(4-7-23)18-1-2-18;30-25-24(31-22-7-4-19(5-8-22)18-2-3-18)10-13-28(25)21-6-9-23-20(16-21)17-26-29(23)15-14-27-11-1-12-27/h2*5-11,16-17,19,23,32H,1-4,12-15,18H2;4-10,14-15,18,23H,2-3,11-13,16-17H2,1H3;4-10,14-15,18,32H,2-3,11-13,16-17H2,1H3;3-8,10,15-16,18,22,31H,1-2,9,11-14,17H2;4-10,16-18H,1-3,11-15H2/t2*23-;;;22-;/m10..1./s1
InChIKeySSGMTKLCWIJPGN-ZHHMJAMISA-N
MW2665.24 g/mol
LogP21.42
Rot. Bonds45

About 1-[1-[2-(azetidin-1-yl)ethyl]indazol-5-yl]-4-(4-cyclopropylphenoxy)-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-(3-hydroxy-3-methylazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-(3-methoxyazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one

1-[1-[2-(azetidin-1-yl)ethyl]indazol-5-yl]-4-(4-cyclopropylphenoxy)-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-(3-hydroxy-3-methylazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-(3-methoxyazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one (PubChem CID 160922911) has the molecular formula C157H170N24O17 and a molecular weight of 2665.24 g/mol. Its IUPAC name is 1-[1-[2-(azetidin-1-yl)ethyl]indazol-5-yl]-4-(4-cyclopropylphenoxy)-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-(3-hydroxy-3-methylazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-(3-methoxyazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[1-[2-(azetidin-1-yl)ethyl]indazol-5-yl]-4-(4-cyclopropylphenoxy)-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-(3-hydroxy-3-methylazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-(3-methoxyazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one
PubChem CID160922911
Molecular FormulaC157H170N24O17
Molecular Weight2665.24 g/mol
Exact Mass2663.32
IUPAC Name1-[1-[2-(azetidin-1-yl)ethyl]indazol-5-yl]-4-(4-cyclopropylphenoxy)-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-(3-hydroxy-3-methylazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-(3-methoxyazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one
SMILESCC1(O)CN(CCn2ncc3cc(N4CC=C(Oc5ccc(C6CC6)cc5)C4=O)ccc32)C1.COC1CN(CCn2ncc3cc(N4CC=C(Oc5ccc(C6CC6)cc5)C4=O)ccc32)C1.O=C1C(Oc2ccc(C3CC3)cc2)=CCN1c1ccc2c(cnn2CCN2CCC2)c1.O=C1C(Oc2ccc(C3CC3)cc2)=CCN1c1ccc2c(cnn2CCN2CCC[C@@H]2CO)c1.O=C1C(Oc2ccc(C3CC3)cc2)=CCN1c1ccc2c(cnn2CCN2CCC[C@H]2CO)c1.O=C1C(Oc2ccc(C3CC3)cc2)=CCN1c1ccc2c(cnn2CCN2CC[C@@H](O)C2)c1
InChIInChI=1S/2C27H30N4O3.3C26H28N4O3.C25H26N4O2/c2*32-18-23-2-1-12-29(23)14-15-31-25-10-7-22(16-21(25)17-28-31)30-13-11-26(27(30)33)34-24-8-5-20(6-9-24)19-3-4-19;1-32-23-16-28(17-23)12-13-30-24-9-6-21(14-20(24)15-27-30)29-11-10-25(26(29)31)33-22-7-4-19(5-8-22)18-2-3-18;1-26(32)16-28(17-26)12-13-30-23-9-6-21(14-20(23)15-27-30)29-11-10-24(25(29)31)33-22-7-4-19(5-8-22)18-2-3-18;31-22-9-11-28(17-22)13-14-30-24-8-5-21(15-20(24)16-27-30)29-12-10-25(26(29)32)33-23-6-3-19(4-7-23)18-1-2-18;30-25-24(31-22-7-4-19(5-8-22)18-2-3-18)10-13-28(25)21-6-9-23-20(16-21)17-26-29(23)15-14-27-11-1-12-27/h2*5-11,16-17,19,23,32H,1-4,12-15,18H2;4-10,14-15,18,23H,2-3,11-13,16-17H2,1H3;4-10,14-15,18,32H,2-3,11-13,16-17H2,1H3;3-8,10,15-16,18,22,31H,1-2,9,11-14,17H2;4-10,16-18H,1-3,11-15H2/t2*23-;;;22-;/m10..1./s1
InChIKeySSGMTKLCWIJPGN-ZHHMJAMISA-N
XLogP21.42
TPSA393.75 Ų
H-Bond Donors4
H-Bond Acceptors35
Rotatable Bonds45
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002665.24
LogP ≤ 521.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1035

Analyze 1-[1-[2-(azetidin-1-yl)ethyl]indazol-5-yl]-4-(4-cyclopropylphenoxy)-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-(3-hydroxy-3-methylazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-(3-methoxyazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one with MolForge

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Launch Full Analysis

Related Compounds

4-(4-cyclopropylphenoxy)-1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one
CID 118284404
4-(4-cyclopropylphenoxy)-1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one
CID 118284409
4-(4-cyclopropylphenoxy)-1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one
CID 118284415
4-(4-cyclopropylphenoxy)-1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one
CID 118284411
1-[4-[2-(azetidin-1-yl)ethoxy]cyclohexyl]-4-(4-cyclopropylphenoxy)-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[4-[2-(4,4-difluoropiperidin-1-yl)ethoxy]cyclohexyl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[4-[2-(3-hydroxyazetidin-1-yl)ethoxy]cyclohexyl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[4-[2-(3-hydroxy-3-methylazetidin-1-yl)ethoxy]cyclohexyl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]cyclohexyl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[4-[2-(3-methoxyazetidin-1-yl)ethoxy]cyclohexyl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-2H-pyrrol-5-one
CID 157812770
4-(2-fluoro-4-methoxyphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-[2-fluoro-4-(trifluoromethoxy)phenyl]-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 158636144
4-(4-cyclopropylphenoxy)-1-[1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-(2,5-dihydropyrrol-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-(3-hydroxyazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(3S)-3-hydroxypiperidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-[2-[5-[4-(4-cyclopropylphenoxy)-5-oxo-2H-pyrrol-1-yl]indazol-1-yl]ethyl]piperazin-2-one
CID 158894169
1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;4-(4-methoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]-4-[4-(trifluoromethoxy)phenyl]pyridin-2-one
CID 161171007
3-[[1-[2-(azetidin-1-yl)phenyl]-5-(3-cyclopropyloxyphenyl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]phenyl]pyrazol-3-yl]methoxy]-3-methylbutan-2-one;1-[2-[5-(3-cyclopropyloxyphenyl)-3-[(2-methyl-3-oxobutan-2-yl)oxymethyl]pyrazol-1-yl]phenyl]pyrrolidin-2-one;3-[[5-(3-cyclopropyloxyphenyl)-1-(2-morpholin-4-ylphenyl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-[[5-(3,5-dimethoxyphenyl)-1-(2-pyrrolidin-1-ylphenyl)pyrazol-3-yl]methoxy]-3-methylbutan-2-one;3-methyl-3-[[5-(1-methylindazol-6-yl)-1-(2-pyrrolidin-1-ylphenyl)pyrazol-3-yl]methoxy]butan-2-one
CID 157949638
1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one;1-[1-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-4-phenylmethoxypyridin-2-one
CID 159000815

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(azetidin-1-yl)ethyl]indazol-5-yl]-4-(4-cyclopropylphenoxy)-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-(3-hydroxy-3-methylazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-(3-methoxyazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one?
The IUPAC name of 1-[1-[2-(azetidin-1-yl)ethyl]indazol-5-yl]-4-(4-cyclopropylphenoxy)-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-(3-hydroxy-3-methylazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-(3-methoxyazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one (CID 160922911) is 1-[1-[2-(azetidin-1-yl)ethyl]indazol-5-yl]-4-(4-cyclopropylphenoxy)-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-(3-hydroxy-3-methylazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-(3-methoxyazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one.
What is the SMILES notation for 1-[1-[2-(azetidin-1-yl)ethyl]indazol-5-yl]-4-(4-cyclopropylphenoxy)-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-(3-hydroxy-3-methylazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-(3-methoxyazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one?
The canonical SMILES for 1-[1-[2-(azetidin-1-yl)ethyl]indazol-5-yl]-4-(4-cyclopropylphenoxy)-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-(3-hydroxy-3-methylazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-(3-methoxyazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one is CC1(O)CN(CCn2ncc3cc(N4CC=C(Oc5ccc(C6CC6)cc5)C4=O)ccc32)C1.COC1CN(CCn2ncc3cc(N4CC=C(Oc5ccc(C6CC6)cc5)C4=O)ccc32)C1.O=C1C(Oc2ccc(C3CC3)cc2)=CCN1c1ccc2c(cnn2CCN2CCC2)c1.O=C1C(Oc2ccc(C3CC3)cc2)=CCN1c1ccc2c(cnn2CCN2CCC[C@@H]2CO)c1.O=C1C(Oc2ccc(C3CC3)cc2)=CCN1c1ccc2c(cnn2CCN2CCC[C@H]2CO)c1.O=C1C(Oc2ccc(C3CC3)cc2)=CCN1c1ccc2c(cnn2CCN2CC[C@@H](O)C2)c1.
What is the InChIKey of 1-[1-[2-(azetidin-1-yl)ethyl]indazol-5-yl]-4-(4-cyclopropylphenoxy)-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-(3-hydroxy-3-methylazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-(3-methoxyazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one?
The InChIKey is SSGMTKLCWIJPGN-ZHHMJAMISA-N. The full InChI is InChI=1S/2C27H30N4O3.3C26H28N4O3.C25H26N4O2/c2*32-18-23-2-1-12-29(23)14-15-31-25-10-7-22(16-21(25)17-28-31)30-13-11-26(27(30)33)34-24-8-5-20(6-9-24)19-3-4-19;1-32-23-16-28(17-23)12-13-30-24-9-6-21(14-20(24)15-27-30)29-11-10-25(26(29)31)33-22-7-4-19(5-8-22)18-2-3-18;1-26(32)16-28(17-26)12-13-30-23-9-6-21(14-20(23)15-27-30)29-11-10-24(25(29)31)33-22-7-4-19(5-8-22)18-2-3-18;31-22-9-11-28(17-22)13-14-30-24-8-5-21(15-20(24)16-27-30)29-12-10-25(26(29)32)33-23-6-3-19(4-7-23)18-1-2-18;30-25-24(31-22-7-4-19(5-8-22)18-2-3-18)10-13-28(25)21-6-9-23-20(16-21)17-26-29(23)15-14-27-11-1-12-27/h2*5-11,16-17,19,23,32H,1-4,12-15,18H2;4-10,14-15,18,23H,2-3,11-13,16-17H2,1H3;4-10,14-15,18,32H,2-3,11-13,16-17H2,1H3;3-8,10,15-16,18,22,31H,1-2,9,11-14,17H2;4-10,16-18H,1-3,11-15H2/t2*23-;;;22-;/m10..1./s1.
What are the key properties of 1-[1-[2-(azetidin-1-yl)ethyl]indazol-5-yl]-4-(4-cyclopropylphenoxy)-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-(3-hydroxy-3-methylazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-(3-methoxyazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one?
1-[1-[2-(azetidin-1-yl)ethyl]indazol-5-yl]-4-(4-cyclopropylphenoxy)-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-(3-hydroxy-3-methylazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-(3-methoxyazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one has a molecular weight of 2665.24 g/mol, XLogP of 21.42, 45 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(azetidin-1-yl)ethyl]indazol-5-yl]-4-(4-cyclopropylphenoxy)-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-(3-hydroxy-3-methylazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-2H-pyrrol-5-one;4-(4-cyclopropylphenoxy)-1-[1-[2-(3-methoxyazetidin-1-yl)ethyl]indazol-5-yl]-2H-pyrrol-5-one is sourced from PubChem (CID 160922911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).