1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-methylpentan-1-one;bis(1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one);1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one

C132H165F3N12O11 — CID 158094181

IUPAC1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-methylpentan-1-one;bis(1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one);1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one
SMILESCC(C)C(CC(=O)N1C2CC3CC1CC(F)(C3)C2)c1c[nH]c2ccccc12.CC(C)C(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2cccc(F)c12.CC(C)C(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2ccccc12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2cccc(F)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2ccccc12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2ccccc12
InChIInChI=1S/C23H29FN2O2.C23H29FN2O.C23H30N2O2.C21H25FN2O2.2C21H26N2O2/c1-13(2)17(18-12-25-20-5-3-4-19(24)22(18)20)8-21(27)26-15-6-14-7-16(26)11-23(28,9-14)10-15;1-14(2)19(20-13-25-21-6-4-3-5-18(20)21)9-22(27)26-16-7-15-8-17(26)12-23(24,10-15)11-16;1-14(2)19(20-13-24-21-6-4-3-5-18(20)21)9-22(26)25-16-7-15-8-17(25)12-23(27,10-15)11-16;1-12(16-11-23-18-4-2-3-17(22)20(16)18)5-19(25)24-14-6-13-7-15(24)10-21(26,8-13)9-14;2*1-13(18-12-22-19-5-3-2-4-17(18)19)6-20(24)23-15-7-14-8-16(23)11-21(25,9-14)10-15/h3-5,12-17,25,28H,6-11H2,1-2H3;3-6,13-17,19,25H,7-12H2,1-2H3;3-6,13-17,19,24,27H,7-12H2,1-2H3;2-4,11-15,23,26H,5-10H2,1H3;2*2-5,12-16,22,25H,6-11H2,1H3
InChIKeyFOLXQBPSEZFZIH-UHFFFAOYSA-N
MW2152.84 g/mol
LogP24.56
Rot. Bonds21

About 1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-methylpentan-1-one;bis(1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one);1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one

1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-methylpentan-1-one;bis(1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one);1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one (PubChem CID 158094181) has the molecular formula C132H165F3N12O11 and a molecular weight of 2152.84 g/mol. Its IUPAC name is 1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-methylpentan-1-one;bis(1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one);1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-methylpentan-1-one;bis(1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one);1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one
PubChem CID158094181
Molecular FormulaC132H165F3N12O11
Molecular Weight2152.84 g/mol
Exact Mass2151.27
IUPAC Name1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-methylpentan-1-one;bis(1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one);1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one
SMILESCC(C)C(CC(=O)N1C2CC3CC1CC(F)(C3)C2)c1c[nH]c2ccccc12.CC(C)C(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2cccc(F)c12.CC(C)C(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2ccccc12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2cccc(F)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2ccccc12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2ccccc12
InChIInChI=1S/C23H29FN2O2.C23H29FN2O.C23H30N2O2.C21H25FN2O2.2C21H26N2O2/c1-13(2)17(18-12-25-20-5-3-4-19(24)22(18)20)8-21(27)26-15-6-14-7-16(26)11-23(28,9-14)10-15;1-14(2)19(20-13-25-21-6-4-3-5-18(20)21)9-22(27)26-16-7-15-8-17(26)12-23(24,10-15)11-16;1-14(2)19(20-13-24-21-6-4-3-5-18(20)21)9-22(26)25-16-7-15-8-17(25)12-23(27,10-15)11-16;1-12(16-11-23-18-4-2-3-17(22)20(16)18)5-19(25)24-14-6-13-7-15(24)10-21(26,8-13)9-14;2*1-13(18-12-22-19-5-3-2-4-17(18)19)6-20(24)23-15-7-14-8-16(23)11-21(25,9-14)10-15/h3-5,12-17,25,28H,6-11H2,1-2H3;3-6,13-17,19,25H,7-12H2,1-2H3;3-6,13-17,19,24,27H,7-12H2,1-2H3;2-4,11-15,23,26H,5-10H2,1H3;2*2-5,12-16,22,25H,6-11H2,1H3
InChIKeyFOLXQBPSEZFZIH-UHFFFAOYSA-N
XLogP24.56
TPSA317.75 Ų
H-Bond Donors11
H-Bond Acceptors11
Rotatable Bonds21
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002152.84
LogP ≤ 524.56
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1011

Analyze 1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-methylpentan-1-one;bis(1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one);1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one with MolForge

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Related Compounds

(2S)-2-[[4-[[3,5-bis[[1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-7-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]carbamoyl]cyclohexanecarbonyl]amino]-7-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-7-oxoheptanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 145948580
H-Lys-Leu-Trp-Lys-Lys-Trp-Ala-Lys-Lys-Trp-Leu-Lys-Leu-Trp-Lys-Ala-Trp-OH
CID 44272827
(2R)-2-[[4-[[3,5-bis[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]carbamoyl]cyclohexanecarbonyl]amino]-7-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-7-oxoheptanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 129903473
3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-phenylpropan-1-one
CID 71695633
3-(2,4-difluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one
CID 71695635
3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one
CID 71695636
3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one
CID 71695894
3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-methylpentan-1-one
CID 71696079
3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one
CID 71696080
3-(4-fluorophenyl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one
CID 71696465
3-(5-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one
CID 71696466
3-(6-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one
CID 71696531

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-methylpentan-1-one;bis(1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one);1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one?
The IUPAC name of 1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-methylpentan-1-one;bis(1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one);1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one (CID 158094181) is 1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-methylpentan-1-one;bis(1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one);1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one.
What is the SMILES notation for 1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-methylpentan-1-one;bis(1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one);1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one?
The canonical SMILES for 1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-methylpentan-1-one;bis(1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one);1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one is CC(C)C(CC(=O)N1C2CC3CC1CC(F)(C3)C2)c1c[nH]c2ccccc12.CC(C)C(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2cccc(F)c12.CC(C)C(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2ccccc12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2cccc(F)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2ccccc12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2ccccc12.
What is the InChIKey of 1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-methylpentan-1-one;bis(1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one);1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one?
The InChIKey is FOLXQBPSEZFZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O2.C23H29FN2O.C23H30N2O2.C21H25FN2O2.2C21H26N2O2/c1-13(2)17(18-12-25-20-5-3-4-19(24)22(18)20)8-21(27)26-15-6-14-7-16(26)11-23(28,9-14)10-15;1-14(2)19(20-13-25-21-6-4-3-5-18(20)21)9-22(27)26-16-7-15-8-17(26)12-23(24,10-15)11-16;1-14(2)19(20-13-24-21-6-4-3-5-18(20)21)9-22(26)25-16-7-15-8-17(25)12-23(27,10-15)11-16;1-12(16-11-23-18-4-2-3-17(22)20(16)18)5-19(25)24-14-6-13-7-15(24)10-21(26,8-13)9-14;2*1-13(18-12-22-19-5-3-2-4-17(18)19)6-20(24)23-15-7-14-8-16(23)11-21(25,9-14)10-15/h3-5,12-17,25,28H,6-11H2,1-2H3;3-6,13-17,19,25H,7-12H2,1-2H3;3-6,13-17,19,24,27H,7-12H2,1-2H3;2-4,11-15,23,26H,5-10H2,1H3;2*2-5,12-16,22,25H,6-11H2,1H3.
What are the key properties of 1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-methylpentan-1-one;bis(1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one);1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one?
1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-methylpentan-1-one;bis(1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one);1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one has a molecular weight of 2152.84 g/mol, XLogP of 24.56, 21 rotatable bonds, 11 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-methylpentan-1-one;bis(1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one);1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one is sourced from PubChem (CID 158094181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).