2-[3-(4-chloro-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-chloro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one

C165H201Cl3F3N25O15 — CID 161315936

IUPAC2-[3-(4-chloro-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-chloro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one
SMILESCC(CC(=O)N1C2CC3CC1CC(C#N)(C3)C2)c1nn(C)c2ccc(F)c(C3CC3)c12.CC(CC(=O)N1C2CC3CC1CC(C#N)(C3)C2)c1nn(C)c2ccc(F)c(Cl)c12.COc1ccc2c(c(C(C)CC(=O)N3C4CC5CC3CC(C#N)(C5)C4)nn2C)c1C1CC1.COc1ccc2c(c(C(C)CC(=O)N3C4CC5CC3CC(C#N)(C5)C4)nn2C)c1Cl.COc1ccc2c(c(C(C)CC(=O)N3C4CC5CC3CC(O)(C5)C4)nn2C)c1C1CC1.COc1ccc2c(c(C(C)CC(=O)N3C4CC5CC3CC(O)(C5)C4)nn2C)c1Cl.COc1ccc2c(c(C(C)CC(=O)N3C4CC5CC3CC(O)(C5)C4)nn2C)c1F
InChIInChI=1S/C26H32N4O2.C25H29FN4O.C25H33N3O3.C23H27ClN4O2.C22H24ClFN4O.C22H28ClN3O3.C22H28FN3O3/c1-15(8-22(31)30-18-9-16-10-19(30)13-26(11-16,12-18)14-27)25-24-20(29(2)28-25)6-7-21(32-3)23(24)17-4-5-17;1-14(24-23-20(29(2)28-24)6-5-19(26)22(23)16-3-4-16)7-21(31)30-17-8-15-9-18(30)12-25(10-15,11-17)13-27;1-14(8-21(29)28-17-9-15-10-18(28)13-25(30,11-15)12-17)24-23-19(27(2)26-24)6-7-20(31-3)22(23)16-4-5-16;1-13(22-20-17(27(2)26-22)4-5-18(30-3)21(20)24)6-19(29)28-15-7-14-8-16(28)11-23(9-14,10-15)12-25;1-12(21-19-17(27(2)26-21)4-3-16(24)20(19)23)5-18(29)28-14-6-13-7-15(28)10-22(8-13,9-14)11-25;2*1-12(21-19-16(25(2)24-21)4-5-17(29-3)20(19)23)6-18(27)26-14-7-13-8-15(26)11-22(28,9-13)10-14/h6-7,15-19H,4-5,8-13H2,1-3H3;5-6,14-18H,3-4,7-12H2,1-2H3;6-7,14-18,30H,4-5,8-13H2,1-3H3;4-5,13-16H,6-11H2,1-3H3;3-4,12-15H,5-10H2,1-2H3;2*4-5,12-15,28H,6-11H2,1-3H3
InChIKeyVJMNZKOBTWCGAR-UHFFFAOYSA-N
MW2937.94 g/mol
LogP28.97
Rot. Bonds29

About 2-[3-(4-chloro-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-chloro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one

2-[3-(4-chloro-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-chloro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one (PubChem CID 161315936) has the molecular formula C165H201Cl3F3N25O15 and a molecular weight of 2937.94 g/mol. Its IUPAC name is 2-[3-(4-chloro-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-chloro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one.

Molecular Properties

Compound Name2-[3-(4-chloro-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-chloro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one
PubChem CID161315936
Molecular FormulaC165H201Cl3F3N25O15
Molecular Weight2937.94 g/mol
Exact Mass2934.48
IUPAC Name2-[3-(4-chloro-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-chloro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one
SMILESCC(CC(=O)N1C2CC3CC1CC(C#N)(C3)C2)c1nn(C)c2ccc(F)c(C3CC3)c12.CC(CC(=O)N1C2CC3CC1CC(C#N)(C3)C2)c1nn(C)c2ccc(F)c(Cl)c12.COc1ccc2c(c(C(C)CC(=O)N3C4CC5CC3CC(C#N)(C5)C4)nn2C)c1C1CC1.COc1ccc2c(c(C(C)CC(=O)N3C4CC5CC3CC(C#N)(C5)C4)nn2C)c1Cl.COc1ccc2c(c(C(C)CC(=O)N3C4CC5CC3CC(O)(C5)C4)nn2C)c1C1CC1.COc1ccc2c(c(C(C)CC(=O)N3C4CC5CC3CC(O)(C5)C4)nn2C)c1Cl.COc1ccc2c(c(C(C)CC(=O)N3C4CC5CC3CC(O)(C5)C4)nn2C)c1F
InChIInChI=1S/C26H32N4O2.C25H29FN4O.C25H33N3O3.C23H27ClN4O2.C22H24ClFN4O.C22H28ClN3O3.C22H28FN3O3/c1-15(8-22(31)30-18-9-16-10-19(30)13-26(11-16,12-18)14-27)25-24-20(29(2)28-25)6-7-21(32-3)23(24)17-4-5-17;1-14(24-23-20(29(2)28-24)6-5-19(26)22(23)16-3-4-16)7-21(31)30-17-8-15-9-18(30)12-25(10-15,11-17)13-27;1-14(8-21(29)28-17-9-15-10-18(28)13-25(30,11-15)12-17)24-23-19(27(2)26-24)6-7-20(31-3)22(23)16-4-5-16;1-13(22-20-17(27(2)26-22)4-5-18(30-3)21(20)24)6-19(29)28-15-7-14-8-16(28)11-23(9-14,10-15)12-25;1-12(21-19-17(27(2)26-21)4-3-16(24)20(19)23)5-18(29)28-14-6-13-7-15(28)10-22(8-13,9-14)11-25;2*1-12(21-19-16(25(2)24-21)4-5-17(29-3)20(19)23)6-18(27)26-14-7-13-8-15(26)11-22(28,9-13)10-14/h6-7,15-19H,4-5,8-13H2,1-3H3;5-6,14-18H,3-4,7-12H2,1-2H3;6-7,14-18,30H,4-5,8-13H2,1-3H3;4-5,13-16H,6-11H2,1-3H3;3-4,12-15H,5-10H2,1-2H3;2*4-5,12-15,28H,6-11H2,1-3H3
InChIKeyVJMNZKOBTWCGAR-UHFFFAOYSA-N
XLogP28.97
TPSA468.91 Ų
H-Bond Donors3
H-Bond Acceptors33
Rotatable Bonds29
Heavy Atoms211
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002937.94
LogP ≤ 528.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1033

Analyze 2-[3-(4-chloro-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-chloro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one 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 2-[3-(4-chloro-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-chloro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one?
The IUPAC name of 2-[3-(4-chloro-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-chloro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one (CID 161315936) is 2-[3-(4-chloro-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-chloro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one.
What is the SMILES notation for 2-[3-(4-chloro-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-chloro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one?
The canonical SMILES for 2-[3-(4-chloro-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-chloro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one is CC(CC(=O)N1C2CC3CC1CC(C#N)(C3)C2)c1nn(C)c2ccc(F)c(C3CC3)c12.CC(CC(=O)N1C2CC3CC1CC(C#N)(C3)C2)c1nn(C)c2ccc(F)c(Cl)c12.COc1ccc2c(c(C(C)CC(=O)N3C4CC5CC3CC(C#N)(C5)C4)nn2C)c1C1CC1.COc1ccc2c(c(C(C)CC(=O)N3C4CC5CC3CC(C#N)(C5)C4)nn2C)c1Cl.COc1ccc2c(c(C(C)CC(=O)N3C4CC5CC3CC(O)(C5)C4)nn2C)c1C1CC1.COc1ccc2c(c(C(C)CC(=O)N3C4CC5CC3CC(O)(C5)C4)nn2C)c1Cl.COc1ccc2c(c(C(C)CC(=O)N3C4CC5CC3CC(O)(C5)C4)nn2C)c1F.
What is the InChIKey of 2-[3-(4-chloro-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-chloro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one?
The InChIKey is VJMNZKOBTWCGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2.C25H29FN4O.C25H33N3O3.C23H27ClN4O2.C22H24ClFN4O.C22H28ClN3O3.C22H28FN3O3/c1-15(8-22(31)30-18-9-16-10-19(30)13-26(11-16,12-18)14-27)25-24-20(29(2)28-25)6-7-21(32-3)23(24)17-4-5-17;1-14(24-23-20(29(2)28-24)6-5-19(26)22(23)16-3-4-16)7-21(31)30-17-8-15-9-18(30)12-25(10-15,11-17)13-27;1-14(8-21(29)28-17-9-15-10-18(28)13-25(30,11-15)12-17)24-23-19(27(2)26-24)6-7-20(31-3)22(23)16-4-5-16;1-13(22-20-17(27(2)26-22)4-5-18(30-3)21(20)24)6-19(29)28-15-7-14-8-16(28)11-23(9-14,10-15)12-25;1-12(21-19-17(27(2)26-21)4-3-16(24)20(19)23)5-18(29)28-14-6-13-7-15(28)10-22(8-13,9-14)11-25;2*1-12(21-19-16(25(2)24-21)4-5-17(29-3)20(19)23)6-18(27)26-14-7-13-8-15(26)11-22(28,9-13)10-14/h6-7,15-19H,4-5,8-13H2,1-3H3;5-6,14-18H,3-4,7-12H2,1-2H3;6-7,14-18,30H,4-5,8-13H2,1-3H3;4-5,13-16H,6-11H2,1-3H3;3-4,12-15H,5-10H2,1-2H3;2*4-5,12-15,28H,6-11H2,1-3H3.
What are the key properties of 2-[3-(4-chloro-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-chloro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one?
2-[3-(4-chloro-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-chloro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one has a molecular weight of 2937.94 g/mol, XLogP of 28.97, 29 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chloro-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-chloro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one is sourced from PubChem (CID 161315936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).