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

C168H206Cl3F3N24O16 — CID 158322582

IUPAC2-[3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;3-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;2-[3-(5-cyclopropyloxy-4-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(5-cyclopropyloxy-4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile
SMILESCC(CC(=O)N1C2CC3CC1CC(C#N)(C3)C2)c1nn(C)c2ccc(OC3CC3)c(Cl)c12.CC(CC(=O)N1C2CC3CC1CC(C#N)(C3)C2)c1nn(C)c2ccc(OC3CC3)c(F)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1nn(C)c2ccc(OC3CC3)c(Cl)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1nn(C)c2ccc(OC3CC3)c(F)c12.COc1ccc2c(c(C(C)CC(=O)N3C4CC5CC3CC(C#N)(C5)C4)nn2C)c1F.Cn1nc(C(C)(C)CC(=O)N2C3CC4CC2CC(O)(C4)C3)c2c(C3CC3)cccc21.Cn1nc(C(C)(C)CC(=O)N2C3CC4CC2CC(O)(C4)C3)c2c(Cl)cccc21
InChIInChI=1S/C25H29ClN4O2.C25H29FN4O2.C25H33N3O2.C24H30ClN3O3.C24H30FN3O3.C23H27FN4O2.C22H28ClN3O2/c2*1-14(7-21(31)30-16-8-15-9-17(30)12-25(10-15,11-16)13-27)24-22-19(29(2)28-24)5-6-20(23(22)26)32-18-3-4-18;1-24(2,23-22-19(16-7-8-16)5-4-6-20(22)27(3)26-23)14-21(29)28-17-9-15-10-18(28)13-25(30,11-15)12-17;2*1-13(7-20(29)28-15-8-14-9-16(28)12-24(30,10-14)11-15)23-21-18(27(2)26-23)5-6-19(22(21)25)31-17-3-4-17;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;1-21(2,20-19-16(23)5-4-6-17(19)25(3)24-20)12-18(27)26-14-7-13-8-15(26)11-22(28,9-13)10-14/h2*5-6,14-18H,3-4,7-12H2,1-2H3;4-6,15-18,30H,7-14H2,1-3H3;2*5-6,13-17,30H,3-4,7-12H2,1-2H3;4-5,13-16H,6-11H2,1-3H3;4-6,13-15,28H,7-12H2,1-3H3
InChIKeyGPAJZXGYYMXGSQ-UHFFFAOYSA-N
MW2981.00 g/mol
LogP28.91
Rot. Bonds31

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

2-[3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;3-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;2-[3-(5-cyclopropyloxy-4-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(5-cyclopropyloxy-4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile (PubChem CID 158322582) has the molecular formula C168H206Cl3F3N24O16 and a molecular weight of 2981.00 g/mol. Its IUPAC name is 2-[3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;3-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;2-[3-(5-cyclopropyloxy-4-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(5-cyclopropyloxy-4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile.

Molecular Properties

Compound Name2-[3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;3-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;2-[3-(5-cyclopropyloxy-4-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(5-cyclopropyloxy-4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile
PubChem CID158322582
Molecular FormulaC168H206Cl3F3N24O16
Molecular Weight2981.00 g/mol
Exact Mass2977.51
IUPAC Name2-[3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;3-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;2-[3-(5-cyclopropyloxy-4-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(5-cyclopropyloxy-4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile
SMILESCC(CC(=O)N1C2CC3CC1CC(C#N)(C3)C2)c1nn(C)c2ccc(OC3CC3)c(Cl)c12.CC(CC(=O)N1C2CC3CC1CC(C#N)(C3)C2)c1nn(C)c2ccc(OC3CC3)c(F)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1nn(C)c2ccc(OC3CC3)c(Cl)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1nn(C)c2ccc(OC3CC3)c(F)c12.COc1ccc2c(c(C(C)CC(=O)N3C4CC5CC3CC(C#N)(C5)C4)nn2C)c1F.Cn1nc(C(C)(C)CC(=O)N2C3CC4CC2CC(O)(C4)C3)c2c(C3CC3)cccc21.Cn1nc(C(C)(C)CC(=O)N2C3CC4CC2CC(O)(C4)C3)c2c(Cl)cccc21
InChIInChI=1S/C25H29ClN4O2.C25H29FN4O2.C25H33N3O2.C24H30ClN3O3.C24H30FN3O3.C23H27FN4O2.C22H28ClN3O2/c2*1-14(7-21(31)30-16-8-15-9-17(30)12-25(10-15,11-16)13-27)24-22-19(29(2)28-24)5-6-20(23(22)26)32-18-3-4-18;1-24(2,23-22-19(16-7-8-16)5-4-6-20(22)27(3)26-23)14-21(29)28-17-9-15-10-18(28)13-25(30,11-15)12-17;2*1-13(7-20(29)28-15-8-14-9-16(28)12-24(30,10-14)11-15)23-21-18(27(2)26-23)5-6-19(22(21)25)31-17-3-4-17;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;1-21(2,20-19-16(23)5-4-6-17(19)25(3)24-20)12-18(27)26-14-7-13-8-15(26)11-22(28,9-13)10-14/h2*5-6,14-18H,3-4,7-12H2,1-2H3;4-6,15-18,30H,7-14H2,1-3H3;2*5-6,13-17,30H,3-4,7-12H2,1-2H3;4-5,13-16H,6-11H2,1-3H3;4-6,13-15,28H,7-12H2,1-3H3
InChIKeyGPAJZXGYYMXGSQ-UHFFFAOYSA-N
XLogP28.91
TPSA465.35 Ų
H-Bond Donors4
H-Bond Acceptors33
Rotatable Bonds31
Heavy Atoms214
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002981.00
LogP ≤ 528.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1033

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;3-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;2-[3-(5-cyclopropyloxy-4-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(5-cyclopropyloxy-4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile?
The IUPAC name of 2-[3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;3-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;2-[3-(5-cyclopropyloxy-4-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(5-cyclopropyloxy-4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile (CID 158322582) is 2-[3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;3-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;2-[3-(5-cyclopropyloxy-4-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(5-cyclopropyloxy-4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile.
What is the SMILES notation for 2-[3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;3-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;2-[3-(5-cyclopropyloxy-4-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(5-cyclopropyloxy-4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile?
The canonical SMILES for 2-[3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;3-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;2-[3-(5-cyclopropyloxy-4-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(5-cyclopropyloxy-4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile is CC(CC(=O)N1C2CC3CC1CC(C#N)(C3)C2)c1nn(C)c2ccc(OC3CC3)c(Cl)c12.CC(CC(=O)N1C2CC3CC1CC(C#N)(C3)C2)c1nn(C)c2ccc(OC3CC3)c(F)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1nn(C)c2ccc(OC3CC3)c(Cl)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1nn(C)c2ccc(OC3CC3)c(F)c12.COc1ccc2c(c(C(C)CC(=O)N3C4CC5CC3CC(C#N)(C5)C4)nn2C)c1F.Cn1nc(C(C)(C)CC(=O)N2C3CC4CC2CC(O)(C4)C3)c2c(C3CC3)cccc21.Cn1nc(C(C)(C)CC(=O)N2C3CC4CC2CC(O)(C4)C3)c2c(Cl)cccc21.
What is the InChIKey of 2-[3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;3-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;2-[3-(5-cyclopropyloxy-4-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(5-cyclopropyloxy-4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile?
The InChIKey is GPAJZXGYYMXGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O2.C25H29FN4O2.C25H33N3O2.C24H30ClN3O3.C24H30FN3O3.C23H27FN4O2.C22H28ClN3O2/c2*1-14(7-21(31)30-16-8-15-9-17(30)12-25(10-15,11-16)13-27)24-22-19(29(2)28-24)5-6-20(23(22)26)32-18-3-4-18;1-24(2,23-22-19(16-7-8-16)5-4-6-20(22)27(3)26-23)14-21(29)28-17-9-15-10-18(28)13-25(30,11-15)12-17;2*1-13(7-20(29)28-15-8-14-9-16(28)12-24(30,10-14)11-15)23-21-18(27(2)26-23)5-6-19(22(21)25)31-17-3-4-17;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;1-21(2,20-19-16(23)5-4-6-17(19)25(3)24-20)12-18(27)26-14-7-13-8-15(26)11-22(28,9-13)10-14/h2*5-6,14-18H,3-4,7-12H2,1-2H3;4-6,15-18,30H,7-14H2,1-3H3;2*5-6,13-17,30H,3-4,7-12H2,1-2H3;4-5,13-16H,6-11H2,1-3H3;4-6,13-15,28H,7-12H2,1-3H3.
What are the key properties of 2-[3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;3-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;2-[3-(5-cyclopropyloxy-4-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(5-cyclopropyloxy-4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile?
2-[3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;3-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;2-[3-(5-cyclopropyloxy-4-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(5-cyclopropyloxy-4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile has a molecular weight of 2981.00 g/mol, XLogP of 28.91, 31 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;3-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-methylbutan-1-one;2-[3-(5-cyclopropyloxy-4-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(5-cyclopropyloxy-4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile is sourced from PubChem (CID 158322582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).