1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-methyl-5-(1-methylpyrazol-4-yl)indole-6-carbonitrile;1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(difluoromethyl)-2-methyl-5-(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-methyl-3-[4-(1-methylpyrazol-4-yl)benzoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydronaphthalen-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-morpholin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one

C233H258F2N54O17S3 — CID 159517855

About 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-methyl-5-(1-methylpyrazol-4-yl)indole-6-carbonitrile;1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(difluoromethyl)-2-methyl-5-(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-methyl-3-[4-(1-methylpyrazol-4-yl)benzoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydronaphthalen-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-morpholin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one

1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-methyl-5-(1-methylpyrazol-4-yl)indole-6-carbonitrile;1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(difluoromethyl)-2-methyl-5-(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-methyl-3-[4-(1-methylpyrazol-4-yl)benzoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydronaphthalen-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-morpholin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one (PubChem CID 159517855) has the molecular formula C233H258F2N54O17S3 and a molecular weight of 4221.18 g/mol. Its IUPAC name is 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-methyl-5-(1-methylpyrazol-4-yl)indole-6-carbonitrile;1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(difluoromethyl)-2-methyl-5-(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-methyl-3-[4-(1-methylpyrazol-4-yl)benzoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydronaphthalen-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-morpholin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one.

Molecular Properties

• Compound Name: 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-methyl-5-(1-methylpyrazol-4-yl)indole-6-carbonitrile;1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(difluoromethyl)-2-methyl-5-(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-methyl-3-[4-(1-methylpyrazol-4-yl)benzoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydronaphthalen-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-morpholin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
• PubChem CID: 159517855
• Molecular Formula: C233H258F2N54O17S3
• Molecular Weight: 4221.18 g/mol
• Exact Mass: 4218.01
• IUPAC Name: 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-methyl-5-(1-methylpyrazol-4-yl)indole-6-carbonitrile;1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(difluoromethyl)-2-methyl-5-(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-methyl-3-[4-(1-methylpyrazol-4-yl)benzoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydronaphthalen-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-morpholin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
• SMILES: CC(=O)N1CCc2c(c(-n3c(C)cc4cc(-c5cnn(C)c5)c(C#N)cc43)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-n3c(C)cc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(C(=O)c3ccc(-c4cnn(C)c4)cc3)nn2C)C1.CC(=O)N1CCc2c(c(C3=CCCc4cc(-c5cnn(C)c5)ccc43)nn2[C@H]2CCOC2)C1.CCC(=O)N1CCc2c(C(C)C)nn(-c3cccc4cc(-c5cnn(C)c5)ncc34)c2C1.CCC(=O)N1CCc2c(N3CCOCC3)nn(-c3cccc4cc(-c5cnn(C)c5)ncc34)c2C1.CCC(=O)N1CCc2c(c(-c3cccc4cc(-c5cnc(C)s5)ncc34)nn2C2CCN(C(C)=O)CC2)C1.CCC(=O)N1CCc2c(c(-c3cccc4cc(-c5cnc(C)s5)ncc34)nn2C2CCS(=O)CC2)C1.CCC(=O)N1CCc2c(c(-n3c(C)cc4cc(-c5cnn(C)c5)ncc43)nn2C2CCOCC2)C1
• InChI: InChI=1S/C29H32N6O2S.C27H30F2N6O2.C27H29N7O2.C27H29N5O2S2.C26H31N7O2.C26H29N7O2.C26H29N5O2.C25H28N6O.C20H21N5O2/c1-4-28(37)34-13-10-26-24(17-34)29(32-35(26)21-8-11-33(12-9-21)19(3)36)22-7-5-6-20-14-25(31-15-23(20)22)27-16-30-18(2)38-27;1-16-10-18-11-21(19-13-30-32(3)14-19)22(26(28)29)12-25(18)34(16)27-23-15-33(17(2)36)7-4-24(23)35(31-27)20-5-8-37-9-6-20;1-17-10-19-11-23(21-14-29-31(3)15-21)20(13-28)12-26(19)33(17)27-24-16-32(18(2)35)7-4-25(24)34(30-27)22-5-8-36-9-6-22;1-3-26(33)31-10-7-24-22(16-31)27(30-32(24)19-8-11-36(34)12-9-19)20-6-4-5-18-13-23(29-14-21(18)20)25-15-28-17(2)35-25;1-4-25(34)31-8-5-23-21(16-31)26(29-33(23)20-6-9-35-10-7-20)32-17(2)11-18-12-22(27-14-24(18)32)19-13-28-30(3)15-19;1-3-25(34)32-8-7-20-24(17-32)33(29-26(20)31-9-11-35-12-10-31)23-6-4-5-18-13-22(27-15-21(18)23)19-14-28-30(2)16-19;1-17(32)30-10-8-25-24(15-30)26(28-31(25)21-9-11-33-16-21)23-5-3-4-19-12-18(6-7-22(19)23)20-13-27-29(2)14-20;1-5-24(32)30-10-9-19-23(15-30)31(28-25(19)16(2)3)22-8-6-7-17-11-21(26-13-20(17)22)18-12-27-29(4)14-18;1-13(26)25-9-8-18-17(12-25)19(22-24(18)3)20(27)15-6-4-14(5-7-15)16-10-21-23(2)11-16/h5-7,14-16,21H,4,8-13,17H2,1-3H3;10-14,20,26H,4-9,15H2,1-3H3;10-12,14-15,22H,4-9,16H2,1-3H3;4-6,13-15,19H,3,7-12,16H2,1-2H3;11-15,20H,4-10,16H2,1-3H3;4-6,13-16H,3,7-12,17H2,1-2H3;5-7,12-14,21H,3-4,8-11,15-16H2,1-2H3;6-8,11-14,16H,5,9-10,15H2,1-4H3;4-7,10-11H,8-9,12H2,1-3H3/t;;;;;;21-;;/m......0../s1
• InChIKey: MBKVUKQHGPJDBP-UOELSCRNSA-N
• XLogP: 34.56
• TPSA: 700.56 Ų
• H-Bond Acceptors: 63
• Rotatable Bonds: 33
• Heavy Atoms: 309
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4221.18
LogP ≤ 5	34.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	63

Frequently Asked Questions

What is the IUPAC name of 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-methyl-5-(1-methylpyrazol-4-yl)indole-6-carbonitrile;1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(difluoromethyl)-2-methyl-5-(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-methyl-3-[4-(1-methylpyrazol-4-yl)benzoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydronaphthalen-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-morpholin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?

The IUPAC name of 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-methyl-5-(1-methylpyrazol-4-yl)indole-6-carbonitrile;1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(difluoromethyl)-2-methyl-5-(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-methyl-3-[4-(1-methylpyrazol-4-yl)benzoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydronaphthalen-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-morpholin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one (CID 159517855) is 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-methyl-5-(1-methylpyrazol-4-yl)indole-6-carbonitrile;1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(difluoromethyl)-2-methyl-5-(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-methyl-3-[4-(1-methylpyrazol-4-yl)benzoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydronaphthalen-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-morpholin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one.

What is the SMILES notation for 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-methyl-5-(1-methylpyrazol-4-yl)indole-6-carbonitrile;1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(difluoromethyl)-2-methyl-5-(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-methyl-3-[4-(1-methylpyrazol-4-yl)benzoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydronaphthalen-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-morpholin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?

The canonical SMILES for 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-methyl-5-(1-methylpyrazol-4-yl)indole-6-carbonitrile;1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(difluoromethyl)-2-methyl-5-(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-methyl-3-[4-(1-methylpyrazol-4-yl)benzoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydronaphthalen-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-morpholin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one is CC(=O)N1CCc2c(c(-n3c(C)cc4cc(-c5cnn(C)c5)c(C#N)cc43)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-n3c(C)cc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(C(=O)c3ccc(-c4cnn(C)c4)cc3)nn2C)C1.CC(=O)N1CCc2c(c(C3=CCCc4cc(-c5cnn(C)c5)ccc43)nn2[C@H]2CCOC2)C1.CCC(=O)N1CCc2c(C(C)C)nn(-c3cccc4cc(-c5cnn(C)c5)ncc34)c2C1.CCC(=O)N1CCc2c(N3CCOCC3)nn(-c3cccc4cc(-c5cnn(C)c5)ncc34)c2C1.CCC(=O)N1CCc2c(c(-c3cccc4cc(-c5cnc(C)s5)ncc34)nn2C2CCN(C(C)=O)CC2)C1.CCC(=O)N1CCc2c(c(-c3cccc4cc(-c5cnc(C)s5)ncc34)nn2C2CCS(=O)CC2)C1.CCC(=O)N1CCc2c(c(-n3c(C)cc4cc(-c5cnn(C)c5)ncc43)nn2C2CCOCC2)C1.

What is the InChIKey of 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-methyl-5-(1-methylpyrazol-4-yl)indole-6-carbonitrile;1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(difluoromethyl)-2-methyl-5-(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-methyl-3-[4-(1-methylpyrazol-4-yl)benzoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydronaphthalen-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-morpholin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?

The InChIKey is MBKVUKQHGPJDBP-UOELSCRNSA-N. The full InChI is InChI=1S/C29H32N6O2S.C27H30F2N6O2.C27H29N7O2.C27H29N5O2S2.C26H31N7O2.C26H29N7O2.C26H29N5O2.C25H28N6O.C20H21N5O2/c1-4-28(37)34-13-10-26-24(17-34)29(32-35(26)21-8-11-33(12-9-21)19(3)36)22-7-5-6-20-14-25(31-15-23(20)22)27-16-30-18(2)38-27;1-16-10-18-11-21(19-13-30-32(3)14-19)22(26(28)29)12-25(18)34(16)27-23-15-33(17(2)36)7-4-24(23)35(31-27)20-5-8-37-9-6-20;1-17-10-19-11-23(21-14-29-31(3)15-21)20(13-28)12-26(19)33(17)27-24-16-32(18(2)35)7-4-25(24)34(30-27)22-5-8-36-9-6-22;1-3-26(33)31-10-7-24-22(16-31)27(30-32(24)19-8-11-36(34)12-9-19)20-6-4-5-18-13-23(29-14-21(18)20)25-15-28-17(2)35-25;1-4-25(34)31-8-5-23-21(16-31)26(29-33(23)20-6-9-35-10-7-20)32-17(2)11-18-12-22(27-14-24(18)32)19-13-28-30(3)15-19;1-3-25(34)32-8-7-20-24(17-32)33(29-26(20)31-9-11-35-12-10-31)23-6-4-5-18-13-22(27-15-21(18)23)19-14-28-30(2)16-19;1-17(32)30-10-8-25-24(15-30)26(28-31(25)21-9-11-33-16-21)23-5-3-4-19-12-18(6-7-22(19)23)20-13-27-29(2)14-20;1-5-24(32)30-10-9-19-23(15-30)31(28-25(19)16(2)3)22-8-6-7-17-11-21(26-13-20(17)22)18-12-27-29(4)14-18;1-13(26)25-9-8-18-17(12-25)19(22-24(18)3)20(27)15-6-4-14(5-7-15)16-10-21-23(2)11-16/h5-7,14-16,21H,4,8-13,17H2,1-3H3;10-14,20,26H,4-9,15H2,1-3H3;10-12,14-15,22H,4-9,16H2,1-3H3;4-6,13-15,19H,3,7-12,16H2,1-2H3;11-15,20H,4-10,16H2,1-3H3;4-6,13-16H,3,7-12,17H2,1-2H3;5-7,12-14,21H,3-4,8-11,15-16H2,1-2H3;6-8,11-14,16H,5,9-10,15H2,1-4H3;4-7,10-11H,8-9,12H2,1-3H3/t;;;;;;21-;;/m......0../s1.

What are the key properties of 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-methyl-5-(1-methylpyrazol-4-yl)indole-6-carbonitrile;1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(difluoromethyl)-2-methyl-5-(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-methyl-3-[4-(1-methylpyrazol-4-yl)benzoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydronaphthalen-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-morpholin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?

1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-methyl-5-(1-methylpyrazol-4-yl)indole-6-carbonitrile;1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(difluoromethyl)-2-methyl-5-(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-methyl-3-[4-(1-methylpyrazol-4-yl)benzoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydronaphthalen-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-morpholin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one has a molecular weight of 4221.18 g/mol, XLogP of 34.56, 33 rotatable bonds, 0 hydrogen bond donors, and 63 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-methyl-5-(1-methylpyrazol-4-yl)indole-6-carbonitrile;1-[1-(1-acetylpiperidin-4-yl)-3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(difluoromethyl)-2-methyl-5-(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-methyl-3-[4-(1-methylpyrazol-4-yl)benzoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydronaphthalen-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-morpholin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one;1-[3-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(1-oxothian-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one is sourced from PubChem (CID 159517855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).