[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-9-methyl-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-5-pyridin-3-ylindol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(pyridin-2-ylmethyl)indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(pyridin-4-ylmethyl)indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone

C176H184FN39O7 — CID 163659232

IUPAC[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-9-methyl-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-5-pyridin-3-ylindol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(pyridin-2-ylmethyl)indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(pyridin-4-ylmethyl)indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone
SMILESCN1CCn2c(-c3cc4ccccc4n3CC3CC3)nc3cc(C(=O)N4CCC[C@@H](N)C4)cc1c32.COc1ccc2cc(-c3nc4cc(C(=O)N5CCC[C@@H](N)C5)cc5c4n3CCN5)n(CC3CC3)c2c1.N[C@@H]1CCCN(C(=O)c2cc3c4c(c2)nc(-c2cc5cc(-c6cccnc6)ccc5n2CC2CC2)n4CCN3)C1.N[C@@H]1CCCN(C(=O)c2cc3c4c(c2)nc(-c2cc5ccccc5n2Cc2ccccc2F)n4CCN3)C1.N[C@@H]1CCCN(C(=O)c2cc3c4c(c2)nc(-c2cc5ccccc5n2Cc2ccccn2)n4CCN3)C1.N[C@@H]1CCCN(C(=O)c2cc3c4c(c2)nc(-c2cc5ccccc5n2Cc2ccncc2)n4CCN3)C1
InChIInChI=1S/C32H33N7O.C30H29FN6O.2C29H29N7O.C28H32N6O2.C28H32N6O/c33-25-4-2-11-37(19-25)32(40)24-14-26-30-27(15-24)36-31(38(30)12-10-35-26)29-16-23-13-21(22-3-1-9-34-17-22)7-8-28(23)39(29)18-20-5-6-20;31-23-9-3-1-7-20(23)17-37-26-10-4-2-6-19(26)16-27(37)29-34-25-15-21(14-24-28(25)36(29)13-11-33-24)30(38)35-12-5-8-22(32)18-35;30-21-7-5-12-34(17-21)29(37)20-14-23-27-24(15-20)33-28(35(27)13-11-32-23)26-16-19-6-1-2-9-25(19)36(26)18-22-8-3-4-10-31-22;30-22-5-3-12-34(18-22)29(37)21-14-23-27-24(15-21)33-28(35(27)13-11-32-23)26-16-20-4-1-2-6-25(20)36(26)17-19-7-9-31-10-8-19;1-36-21-7-6-18-13-25(34(24(18)14-21)15-17-4-5-17)27-31-23-12-19(11-22-26(23)33(27)10-8-30-22)28(35)32-9-2-3-20(29)16-32;1-31-11-12-33-26-22(13-20(15-24(26)31)28(35)32-10-4-6-21(29)17-32)30-27(33)25-14-19-5-2-3-7-23(19)34(25)16-18-8-9-18/h1,3,7-9,13-17,20,25,35H,2,4-6,10-12,18-19,33H2;1-4,6-7,9-10,14-16,22,33H,5,8,11-13,17-18,32H2;1-4,6,8-10,14-16,21,32H,5,7,11-13,17-18,30H2;1-2,4,6-10,14-16,22,32H,3,5,11-13,17-18,30H2;6-7,11-14,17,20,30H,2-5,8-10,15-16,29H2,1H3;2-3,5,7,13-15,18,21H,4,6,8-12,16-17,29H2,1H3/t25-;22-;21-;22-;20-;21-/m111111/s1
InChIKeyISYKWLBBCOKFNP-HDEHSQFDSA-N
MW2976.67 g/mol
LogP26.28
Rot. Bonds26

About [(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-9-methyl-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-5-pyridin-3-ylindol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(pyridin-2-ylmethyl)indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(pyridin-4-ylmethyl)indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone

[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-9-methyl-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-5-pyridin-3-ylindol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(pyridin-2-ylmethyl)indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(pyridin-4-ylmethyl)indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone (PubChem CID 163659232) has the molecular formula C176H184FN39O7 and a molecular weight of 2976.67 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-9-methyl-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-5-pyridin-3-ylindol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(pyridin-2-ylmethyl)indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(pyridin-4-ylmethyl)indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-9-methyl-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-5-pyridin-3-ylindol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(pyridin-2-ylmethyl)indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(pyridin-4-ylmethyl)indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone
PubChem CID163659232
Molecular FormulaC176H184FN39O7
Molecular Weight2976.67 g/mol
Exact Mass2974.52
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-9-methyl-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-5-pyridin-3-ylindol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(pyridin-2-ylmethyl)indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(pyridin-4-ylmethyl)indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone
SMILESCN1CCn2c(-c3cc4ccccc4n3CC3CC3)nc3cc(C(=O)N4CCC[C@@H](N)C4)cc1c32.COc1ccc2cc(-c3nc4cc(C(=O)N5CCC[C@@H](N)C5)cc5c4n3CCN5)n(CC3CC3)c2c1.N[C@@H]1CCCN(C(=O)c2cc3c4c(c2)nc(-c2cc5cc(-c6cccnc6)ccc5n2CC2CC2)n4CCN3)C1.N[C@@H]1CCCN(C(=O)c2cc3c4c(c2)nc(-c2cc5ccccc5n2Cc2ccccc2F)n4CCN3)C1.N[C@@H]1CCCN(C(=O)c2cc3c4c(c2)nc(-c2cc5ccccc5n2Cc2ccccn2)n4CCN3)C1.N[C@@H]1CCCN(C(=O)c2cc3c4c(c2)nc(-c2cc5ccccc5n2Cc2ccncc2)n4CCN3)C1
InChIInChI=1S/C32H33N7O.C30H29FN6O.2C29H29N7O.C28H32N6O2.C28H32N6O/c33-25-4-2-11-37(19-25)32(40)24-14-26-30-27(15-24)36-31(38(30)12-10-35-26)29-16-23-13-21(22-3-1-9-34-17-22)7-8-28(23)39(29)18-20-5-6-20;31-23-9-3-1-7-20(23)17-37-26-10-4-2-6-19(26)16-27(37)29-34-25-15-21(14-24-28(25)36(29)13-11-33-24)30(38)35-12-5-8-22(32)18-35;30-21-7-5-12-34(17-21)29(37)20-14-23-27-24(15-20)33-28(35(27)13-11-32-23)26-16-19-6-1-2-9-25(19)36(26)18-22-8-3-4-10-31-22;30-22-5-3-12-34(18-22)29(37)21-14-23-27-24(15-21)33-28(35(27)13-11-32-23)26-16-20-4-1-2-6-25(20)36(26)17-19-7-9-31-10-8-19;1-36-21-7-6-18-13-25(34(24(18)14-21)15-17-4-5-17)27-31-23-12-19(11-22-26(23)33(27)10-8-30-22)28(35)32-9-2-3-20(29)16-32;1-31-11-12-33-26-22(13-20(15-24(26)31)28(35)32-10-4-6-21(29)17-32)30-27(33)25-14-19-5-2-3-7-23(19)34(25)16-18-8-9-18/h1,3,7-9,13-17,20,25,35H,2,4-6,10-12,18-19,33H2;1-4,6-7,9-10,14-16,22,33H,5,8,11-13,17-18,32H2;1-4,6,8-10,14-16,21,32H,5,7,11-13,17-18,30H2;1-2,4,6-10,14-16,22,32H,3,5,11-13,17-18,30H2;6-7,11-14,17,20,30H,2-5,8-10,15-16,29H2,1H3;2-3,5,7,13-15,18,21H,4,6,8-12,16-17,29H2,1H3/t25-;22-;21-;22-;20-;21-/m111111/s1
InChIKeyISYKWLBBCOKFNP-HDEHSQFDSA-N
XLogP26.28
TPSA525.77 Ų
H-Bond Donors11
H-Bond Acceptors40
Rotatable Bonds26
Heavy Atoms223
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002976.67
LogP ≤ 526.28
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1040

Analyze [(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-9-methyl-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-5-pyridin-3-ylindol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(pyridin-2-ylmethyl)indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(pyridin-4-ylmethyl)indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-9-methyl-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-5-pyridin-3-ylindol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(pyridin-2-ylmethyl)indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(pyridin-4-ylmethyl)indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone?
The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-9-methyl-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-5-pyridin-3-ylindol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(pyridin-2-ylmethyl)indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(pyridin-4-ylmethyl)indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone (CID 163659232) is [(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-9-methyl-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-5-pyridin-3-ylindol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(pyridin-2-ylmethyl)indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(pyridin-4-ylmethyl)indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone.
What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-9-methyl-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-5-pyridin-3-ylindol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(pyridin-2-ylmethyl)indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(pyridin-4-ylmethyl)indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone?
The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-9-methyl-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-5-pyridin-3-ylindol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(pyridin-2-ylmethyl)indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(pyridin-4-ylmethyl)indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone is CN1CCn2c(-c3cc4ccccc4n3CC3CC3)nc3cc(C(=O)N4CCC[C@@H](N)C4)cc1c32.COc1ccc2cc(-c3nc4cc(C(=O)N5CCC[C@@H](N)C5)cc5c4n3CCN5)n(CC3CC3)c2c1.N[C@@H]1CCCN(C(=O)c2cc3c4c(c2)nc(-c2cc5cc(-c6cccnc6)ccc5n2CC2CC2)n4CCN3)C1.N[C@@H]1CCCN(C(=O)c2cc3c4c(c2)nc(-c2cc5ccccc5n2Cc2ccccc2F)n4CCN3)C1.N[C@@H]1CCCN(C(=O)c2cc3c4c(c2)nc(-c2cc5ccccc5n2Cc2ccccn2)n4CCN3)C1.N[C@@H]1CCCN(C(=O)c2cc3c4c(c2)nc(-c2cc5ccccc5n2Cc2ccncc2)n4CCN3)C1.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-9-methyl-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-5-pyridin-3-ylindol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(pyridin-2-ylmethyl)indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(pyridin-4-ylmethyl)indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone?
The InChIKey is ISYKWLBBCOKFNP-HDEHSQFDSA-N. The full InChI is InChI=1S/C32H33N7O.C30H29FN6O.2C29H29N7O.C28H32N6O2.C28H32N6O/c33-25-4-2-11-37(19-25)32(40)24-14-26-30-27(15-24)36-31(38(30)12-10-35-26)29-16-23-13-21(22-3-1-9-34-17-22)7-8-28(23)39(29)18-20-5-6-20;31-23-9-3-1-7-20(23)17-37-26-10-4-2-6-19(26)16-27(37)29-34-25-15-21(14-24-28(25)36(29)13-11-33-24)30(38)35-12-5-8-22(32)18-35;30-21-7-5-12-34(17-21)29(37)20-14-23-27-24(15-20)33-28(35(27)13-11-32-23)26-16-19-6-1-2-9-25(19)36(26)18-22-8-3-4-10-31-22;30-22-5-3-12-34(18-22)29(37)21-14-23-27-24(15-21)33-28(35(27)13-11-32-23)26-16-20-4-1-2-6-25(20)36(26)17-19-7-9-31-10-8-19;1-36-21-7-6-18-13-25(34(24(18)14-21)15-17-4-5-17)27-31-23-12-19(11-22-26(23)33(27)10-8-30-22)28(35)32-9-2-3-20(29)16-32;1-31-11-12-33-26-22(13-20(15-24(26)31)28(35)32-10-4-6-21(29)17-32)30-27(33)25-14-19-5-2-3-7-23(19)34(25)16-18-8-9-18/h1,3,7-9,13-17,20,25,35H,2,4-6,10-12,18-19,33H2;1-4,6-7,9-10,14-16,22,33H,5,8,11-13,17-18,32H2;1-4,6,8-10,14-16,21,32H,5,7,11-13,17-18,30H2;1-2,4,6-10,14-16,22,32H,3,5,11-13,17-18,30H2;6-7,11-14,17,20,30H,2-5,8-10,15-16,29H2,1H3;2-3,5,7,13-15,18,21H,4,6,8-12,16-17,29H2,1H3/t25-;22-;21-;22-;20-;21-/m111111/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-9-methyl-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-5-pyridin-3-ylindol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(pyridin-2-ylmethyl)indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(pyridin-4-ylmethyl)indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone?
[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-9-methyl-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-5-pyridin-3-ylindol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(pyridin-2-ylmethyl)indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(pyridin-4-ylmethyl)indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone has a molecular weight of 2976.67 g/mol, XLogP of 26.28, 26 rotatable bonds, 11 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)indol-2-yl]-9-methyl-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-5-pyridin-3-ylindol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(pyridin-2-ylmethyl)indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(pyridin-4-ylmethyl)indol-2-yl]-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl]methanone is sourced from PubChem (CID 163659232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).