4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(4-methoxyphenyl)-3H-isoindol-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C206H234F3N43O21 — CID 160950855

IUPAC4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(4-methoxyphenyl)-3H-isoindol-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3cccc4[nH]ccc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4[nH]ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4c3CCCC4)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4c3CN(c3cnn(C)c3)C4=O)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4ccncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4nc(N)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-n3ccc4ccc(-c5cnn(C)c5)cc43)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(C3=CNC4N=CC(C(F)(F)F)=CC34)nn2C2CCOCC2)C1.COc1ccc(N2Cc3c(cccc3-c3nn(C4CCOCC4)c4c3CN(C(C)=O)CC4)C2=O)cc1
InChIInChI=1S/C28H30N4O4.C25H28N6O3.C25H28N6O2.C23H29N3O2.C22H24N4O2.C21H24F3N5O2.C21H24N6O2.C21H24N4O2.C20H23N5O2/c1-18(33)30-13-10-26-25(16-30)27(29-32(26)20-11-14-36-15-12-20)22-4-3-5-23-24(22)17-31(28(23)34)19-6-8-21(35-2)9-7-19;1-16(32)29-9-6-23-22(14-29)24(27-31(23)17-7-10-34-11-8-17)19-4-3-5-20-21(19)15-30(25(20)33)18-12-26-28(2)13-18;1-17(32)29-9-6-23-22(16-29)25(27-31(23)21-7-11-33-12-8-21)30-10-5-18-3-4-19(13-24(18)30)20-14-26-28(2)15-20;1-16(27)25-12-9-22-21(15-25)23(24-26(22)18-10-13-28-14-11-18)20-8-4-6-17-5-2-3-7-19(17)20;1-15(27)25-10-6-21-20(14-25)22(24-26(21)17-7-11-28-12-8-17)18-4-2-3-16-5-9-23-13-19(16)18;1-12(30)28-5-2-18-17(11-28)19(27-29(18)14-3-6-31-7-4-14)16-10-26-20-15(16)8-13(9-25-20)21(22,23)24;1-13(28)26-8-5-19-17(12-26)20(25-27(19)14-6-9-29-10-7-14)15-3-2-4-18-16(15)11-23-21(22)24-18;1-14(26)24-10-6-20-18(13-24)21(23-25(20)15-7-11-27-12-8-15)17-3-2-4-19-16(17)5-9-22-19;1-13(26)24-8-5-19-17(12-24)20(23-25(19)14-6-9-27-10-7-14)15-3-2-4-18-16(15)11-21-22-18/h3-9,20H,10-17H2,1-2H3;3-5,12-13,17H,6-11,14-15H2,1-2H3;3-5,10,13-15,21H,6-9,11-12,16H2,1-2H3;4,6,8,18H,2-3,5,7,9-15H2,1H3;2-5,9,13,17H,6-8,10-12,14H2,1H3;8-10,14-15,20,26H,2-7,11H2,1H3;2-4,11,14H,5-10,12H2,1H3,(H2,22,23,24);2-5,9,15,22H,6-8,10-13H2,1H3;2-4,11,14H,5-10,12H2,1H3,(H,21,22)
InChIKeySVSVOHQNUDPQSI-UHFFFAOYSA-N
MW3705.41 g/mol
LogP28.10
Rot. Bonds22

About 4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(4-methoxyphenyl)-3H-isoindol-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(4-methoxyphenyl)-3H-isoindol-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 160950855) has the molecular formula C206H234F3N43O21 and a molecular weight of 3705.41 g/mol. Its IUPAC name is 4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(4-methoxyphenyl)-3H-isoindol-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(4-methoxyphenyl)-3H-isoindol-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID160950855
Molecular FormulaC206H234F3N43O21
Molecular Weight3705.41 g/mol
Exact Mass3702.85
IUPAC Name4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(4-methoxyphenyl)-3H-isoindol-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3cccc4[nH]ccc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4[nH]ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4c3CCCC4)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4c3CN(c3cnn(C)c3)C4=O)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4ccncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4nc(N)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-n3ccc4ccc(-c5cnn(C)c5)cc43)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(C3=CNC4N=CC(C(F)(F)F)=CC34)nn2C2CCOCC2)C1.COc1ccc(N2Cc3c(cccc3-c3nn(C4CCOCC4)c4c3CN(C(C)=O)CC4)C2=O)cc1
InChIInChI=1S/C28H30N4O4.C25H28N6O3.C25H28N6O2.C23H29N3O2.C22H24N4O2.C21H24F3N5O2.C21H24N6O2.C21H24N4O2.C20H23N5O2/c1-18(33)30-13-10-26-25(16-30)27(29-32(26)20-11-14-36-15-12-20)22-4-3-5-23-24(22)17-31(28(23)34)19-6-8-21(35-2)9-7-19;1-16(32)29-9-6-23-22(14-29)24(27-31(23)17-7-10-34-11-8-17)19-4-3-5-20-21(19)15-30(25(20)33)18-12-26-28(2)13-18;1-17(32)29-9-6-23-22(16-29)25(27-31(23)21-7-11-33-12-8-21)30-10-5-18-3-4-19(13-24(18)30)20-14-26-28(2)15-20;1-16(27)25-12-9-22-21(15-25)23(24-26(22)18-10-13-28-14-11-18)20-8-4-6-17-5-2-3-7-19(17)20;1-15(27)25-10-6-21-20(14-25)22(24-26(21)17-7-11-28-12-8-17)18-4-2-3-16-5-9-23-13-19(16)18;1-12(30)28-5-2-18-17(11-28)19(27-29(18)14-3-6-31-7-4-14)16-10-26-20-15(16)8-13(9-25-20)21(22,23)24;1-13(28)26-8-5-19-17(12-26)20(25-27(19)14-6-9-29-10-7-14)15-3-2-4-18-16(15)11-23-21(22)24-18;1-14(26)24-10-6-20-18(13-24)21(23-25(20)15-7-11-27-12-8-15)17-3-2-4-19-16(17)5-9-22-19;1-13(26)24-8-5-19-17(12-24)20(23-25(19)14-6-9-27-10-7-14)15-3-2-4-18-16(15)11-21-22-18/h3-9,20H,10-17H2,1-2H3;3-5,12-13,17H,6-11,14-15H2,1-2H3;3-5,10,13-15,21H,6-9,11-12,16H2,1-2H3;4,6,8,18H,2-3,5,7,9-15H2,1H3;2-5,9,13,17H,6-8,10-12,14H2,1H3;8-10,14-15,20,26H,2-7,11H2,1H3;2-4,11,14H,5-10,12H2,1H3,(H2,22,23,24);2-5,9,15,22H,6-8,10-13H2,1H3;2-4,11,14H,5-10,12H2,1H3,(H,21,22)
InChIKeySVSVOHQNUDPQSI-UHFFFAOYSA-N
XLogP28.10
TPSA650.21 Ų
H-Bond Donors4
H-Bond Acceptors51
Rotatable Bonds22
Heavy Atoms273
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003705.41
LogP ≤ 528.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1051

Analyze 4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(4-methoxyphenyl)-3H-isoindol-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(4-methoxyphenyl)-3H-isoindol-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(4-methoxyphenyl)-3H-isoindol-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 160950855) is 4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(4-methoxyphenyl)-3H-isoindol-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(4-methoxyphenyl)-3H-isoindol-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(4-methoxyphenyl)-3H-isoindol-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(-c3cccc4[nH]ccc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4[nH]ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4c3CCCC4)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4c3CN(c3cnn(C)c3)C4=O)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4ccncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4nc(N)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-n3ccc4ccc(-c5cnn(C)c5)cc43)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(C3=CNC4N=CC(C(F)(F)F)=CC34)nn2C2CCOCC2)C1.COc1ccc(N2Cc3c(cccc3-c3nn(C4CCOCC4)c4c3CN(C(C)=O)CC4)C2=O)cc1.
What is the InChIKey of 4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(4-methoxyphenyl)-3H-isoindol-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is SVSVOHQNUDPQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O4.C25H28N6O3.C25H28N6O2.C23H29N3O2.C22H24N4O2.C21H24F3N5O2.C21H24N6O2.C21H24N4O2.C20H23N5O2/c1-18(33)30-13-10-26-25(16-30)27(29-32(26)20-11-14-36-15-12-20)22-4-3-5-23-24(22)17-31(28(23)34)19-6-8-21(35-2)9-7-19;1-16(32)29-9-6-23-22(14-29)24(27-31(23)17-7-10-34-11-8-17)19-4-3-5-20-21(19)15-30(25(20)33)18-12-26-28(2)13-18;1-17(32)29-9-6-23-22(16-29)25(27-31(23)21-7-11-33-12-8-21)30-10-5-18-3-4-19(13-24(18)30)20-14-26-28(2)15-20;1-16(27)25-12-9-22-21(15-25)23(24-26(22)18-10-13-28-14-11-18)20-8-4-6-17-5-2-3-7-19(17)20;1-15(27)25-10-6-21-20(14-25)22(24-26(21)17-7-11-28-12-8-17)18-4-2-3-16-5-9-23-13-19(16)18;1-12(30)28-5-2-18-17(11-28)19(27-29(18)14-3-6-31-7-4-14)16-10-26-20-15(16)8-13(9-25-20)21(22,23)24;1-13(28)26-8-5-19-17(12-26)20(25-27(19)14-6-9-29-10-7-14)15-3-2-4-18-16(15)11-23-21(22)24-18;1-14(26)24-10-6-20-18(13-24)21(23-25(20)15-7-11-27-12-8-15)17-3-2-4-19-16(17)5-9-22-19;1-13(26)24-8-5-19-17(12-24)20(23-25(19)14-6-9-27-10-7-14)15-3-2-4-18-16(15)11-21-22-18/h3-9,20H,10-17H2,1-2H3;3-5,12-13,17H,6-11,14-15H2,1-2H3;3-5,10,13-15,21H,6-9,11-12,16H2,1-2H3;4,6,8,18H,2-3,5,7,9-15H2,1H3;2-5,9,13,17H,6-8,10-12,14H2,1H3;8-10,14-15,20,26H,2-7,11H2,1H3;2-4,11,14H,5-10,12H2,1H3,(H2,22,23,24);2-5,9,15,22H,6-8,10-13H2,1H3;2-4,11,14H,5-10,12H2,1H3,(H,21,22).
What are the key properties of 4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(4-methoxyphenyl)-3H-isoindol-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(4-methoxyphenyl)-3H-isoindol-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 3705.41 g/mol, XLogP of 28.10, 22 rotatable bonds, 4 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(4-methoxyphenyl)-3H-isoindol-1-one;4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-(2-aminoquinazolin-5-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-isoquinolin-8-yl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 160950855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).