1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one;3-(benzotriazol-1-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one;1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one

C121H150N16O10 — CID 159502563

IUPAC1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one;3-(benzotriazol-1-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one;1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one
SMILESCC(C)C(CC(=O)N1C2CC3CC(C2)C(O)C1C3)c1c[nH]c2ccccc12.CC(CC(=O)N1C2CC3CC(C2)C(O)C1C3)c1c[nH]c2ccccc12.CC(CC(=O)N1C2CC3CC(C2)CC1C3)c1c[nH]c2ccccc12.O=C(CCc1c[nH]c2ncccc12)N1C2CC3CC(C2)CC1C3.O=C(CCc1c[nH]c2ncccc12)N1C2CC3CC1CC(O)(C3)C2.O=C(CCn1nnc2ccccc21)N1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C23H30N2O2.C21H26N2O2.C21H26N2O.C19H23N3O2.C19H23N3O.C18H22N4O2/c1-13(2)18(19-12-24-20-6-4-3-5-17(19)20)11-22(26)25-16-8-14-7-15(10-16)23(27)21(25)9-14;1-12(17-11-22-18-5-3-2-4-16(17)18)6-20(24)23-15-8-13-7-14(10-15)21(25)19(23)9-13;1-13(19-12-22-20-5-3-2-4-18(19)20)6-21(24)23-16-8-14-7-15(10-16)11-17(23)9-14;23-17(4-3-13-11-21-18-16(13)2-1-5-20-18)22-14-6-12-7-15(22)10-19(24,8-12)9-14;23-18(4-3-14-11-21-19-17(14)2-1-5-20-19)22-15-7-12-6-13(9-15)10-16(22)8-12;23-17(5-6-21-16-4-2-1-3-15(16)19-20-21)22-13-7-12-8-14(22)11-18(24,9-12)10-13/h3-6,12-16,18,21,23-24,27H,7-11H2,1-2H3;2-5,11-15,19,21-22,25H,6-10H2,1H3;2-5,12-17,22H,6-11H2,1H3;1-2,5,11-12,14-15,24H,3-4,6-10H2,(H,20,21);1-2,5,11-13,15-16H,3-4,6-10H2,(H,20,21);1-4,12-14,24H,5-11H2
InChIKeyLZOOXVOJRZUZES-UHFFFAOYSA-N
MW1988.63 g/mol
LogP19.34
Rot. Bonds19

About 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one;3-(benzotriazol-1-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one;1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one

1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one;3-(benzotriazol-1-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one;1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one (PubChem CID 159502563) has the molecular formula C121H150N16O10 and a molecular weight of 1988.63 g/mol. Its IUPAC name is 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one;3-(benzotriazol-1-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one;1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one;3-(benzotriazol-1-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one;1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one
PubChem CID159502563
Molecular FormulaC121H150N16O10
Molecular Weight1988.63 g/mol
Exact Mass1987.17
IUPAC Name1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one;3-(benzotriazol-1-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one;1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one
SMILESCC(C)C(CC(=O)N1C2CC3CC(C2)C(O)C1C3)c1c[nH]c2ccccc12.CC(CC(=O)N1C2CC3CC(C2)C(O)C1C3)c1c[nH]c2ccccc12.CC(CC(=O)N1C2CC3CC(C2)CC1C3)c1c[nH]c2ccccc12.O=C(CCc1c[nH]c2ncccc12)N1C2CC3CC(C2)CC1C3.O=C(CCc1c[nH]c2ncccc12)N1C2CC3CC1CC(O)(C3)C2.O=C(CCn1nnc2ccccc21)N1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C23H30N2O2.C21H26N2O2.C21H26N2O.C19H23N3O2.C19H23N3O.C18H22N4O2/c1-13(2)18(19-12-24-20-6-4-3-5-17(19)20)11-22(26)25-16-8-14-7-15(10-16)23(27)21(25)9-14;1-12(17-11-22-18-5-3-2-4-16(17)18)6-20(24)23-15-8-13-7-14(10-15)21(25)19(23)9-13;1-13(19-12-22-20-5-3-2-4-18(19)20)6-21(24)23-16-8-14-7-15(10-16)11-17(23)9-14;23-17(4-3-13-11-21-18-16(13)2-1-5-20-18)22-14-6-12-7-15(22)10-19(24,8-12)9-14;23-18(4-3-14-11-21-19-17(14)2-1-5-20-19)22-15-7-12-6-13(9-15)10-16(22)8-12;23-17(5-6-21-16-4-2-1-3-15(16)19-20-21)22-13-7-12-8-14(22)11-18(24,9-12)10-13/h3-6,12-16,18,21,23-24,27H,7-11H2,1-2H3;2-5,11-15,19,21-22,25H,6-10H2,1H3;2-5,12-17,22H,6-11H2,1H3;1-2,5,11-12,14-15,24H,3-4,6-10H2,(H,20,21);1-2,5,11-13,15-16H,3-4,6-10H2,(H,20,21);1-4,12-14,24H,5-11H2
InChIKeyLZOOXVOJRZUZES-UHFFFAOYSA-N
XLogP19.34
TPSA338.22 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001988.63
LogP ≤ 519.34
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

Analyze 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one;3-(benzotriazol-1-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one;1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one;3-(benzotriazol-1-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one;1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one?
The IUPAC name of 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one;3-(benzotriazol-1-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one;1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one (CID 159502563) is 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one;3-(benzotriazol-1-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one;1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one.
What is the SMILES notation for 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one;3-(benzotriazol-1-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one;1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one?
The canonical SMILES for 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one;3-(benzotriazol-1-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one;1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one is CC(C)C(CC(=O)N1C2CC3CC(C2)C(O)C1C3)c1c[nH]c2ccccc12.CC(CC(=O)N1C2CC3CC(C2)C(O)C1C3)c1c[nH]c2ccccc12.CC(CC(=O)N1C2CC3CC(C2)CC1C3)c1c[nH]c2ccccc12.O=C(CCc1c[nH]c2ncccc12)N1C2CC3CC(C2)CC1C3.O=C(CCc1c[nH]c2ncccc12)N1C2CC3CC1CC(O)(C3)C2.O=C(CCn1nnc2ccccc21)N1C2CC3CC1CC(O)(C3)C2.
What is the InChIKey of 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one;3-(benzotriazol-1-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one;1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one?
The InChIKey is LZOOXVOJRZUZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2.C21H26N2O2.C21H26N2O.C19H23N3O2.C19H23N3O.C18H22N4O2/c1-13(2)18(19-12-24-20-6-4-3-5-17(19)20)11-22(26)25-16-8-14-7-15(10-16)23(27)21(25)9-14;1-12(17-11-22-18-5-3-2-4-16(17)18)6-20(24)23-15-8-13-7-14(10-15)21(25)19(23)9-13;1-13(19-12-22-20-5-3-2-4-18(19)20)6-21(24)23-16-8-14-7-15(10-16)11-17(23)9-14;23-17(4-3-13-11-21-18-16(13)2-1-5-20-18)22-14-6-12-7-15(22)10-19(24,8-12)9-14;23-18(4-3-14-11-21-19-17(14)2-1-5-20-19)22-15-7-12-6-13(9-15)10-16(22)8-12;23-17(5-6-21-16-4-2-1-3-15(16)19-20-21)22-13-7-12-8-14(22)11-18(24,9-12)10-13/h3-6,12-16,18,21,23-24,27H,7-11H2,1-2H3;2-5,11-15,19,21-22,25H,6-10H2,1H3;2-5,12-17,22H,6-11H2,1H3;1-2,5,11-12,14-15,24H,3-4,6-10H2,(H,20,21);1-2,5,11-13,15-16H,3-4,6-10H2,(H,20,21);1-4,12-14,24H,5-11H2.
What are the key properties of 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one;3-(benzotriazol-1-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one;1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one?
1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one;3-(benzotriazol-1-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one;1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one has a molecular weight of 1988.63 g/mol, XLogP of 19.34, 19 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one;3-(benzotriazol-1-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)butan-1-one;1-(4-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one is sourced from PubChem (CID 159502563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).