3-[4-[[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]-2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaene;N-[1-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]cyclobutyl]benzamide;N-[1-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]cyclobutyl]benzenesulfonamide;3-[1-[[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]methyl]piperidin-4-yl]-5-phenyl-1H-imidazol-2-one;2-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]propan-2-amine

C148H129N33O4S — CID 157298291

IUPAC3-[4-[[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]-2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaene;N-[1-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]cyclobutyl]benzamide;N-[1-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]cyclobutyl]benzenesulfonamide;3-[1-[[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]methyl]piperidin-4-yl]-5-phenyl-1H-imidazol-2-one;2-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]propan-2-amine
SMILESCC(C)(N)c1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1.O=C(NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1)c1ccccc1.O=S(=O)(NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1)c1ccccc1.O=c1[nH]c(-c2ccccc2)cn1C1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1.c1ccc2c(c1)Nc1ncccc1-n1c(-c3ccc(CN4CCC(C5CNc6ccccc65)CC4)cc3)nnc1-2
InChIInChI=1S/C34H30N8O.C33H31N7.C30H24N6O.C29H24N6O2S.C22H20N6/c43-34-37-29(24-7-2-1-3-8-24)22-41(34)26-16-19-40(20-17-26)21-23-12-14-25(15-13-23)32-38-39-33-27-9-4-5-10-28(27)36-31-30(42(32)33)11-6-18-35-31;1-3-8-28-25(6-1)27(20-35-28)23-15-18-39(19-16-23)21-22-11-13-24(14-12-22)32-37-38-33-26-7-2-4-9-29(26)36-31-30(40(32)33)10-5-17-34-31;37-29(21-8-2-1-3-9-21)33-30(17-7-18-30)22-15-13-20(14-16-22)27-34-35-28-23-10-4-5-11-24(23)32-26-25(36(27)28)12-6-19-31-26;36-38(37,22-8-2-1-3-9-22)34-29(17-7-18-29)21-15-13-20(14-16-21)27-32-33-28-23-10-4-5-11-24(23)31-26-25(35(27)28)12-6-19-30-26;1-22(2,23)15-11-9-14(10-12-15)20-26-27-21-16-6-3-4-7-17(16)25-19-18(28(20)21)8-5-13-24-19/h1-15,18,22,26H,16-17,19-21H2,(H,35,36)(H,37,43);1-14,17,23,27,35H,15-16,18-21H2,(H,34,36);1-6,8-16,19H,7,17-18H2,(H,31,32)(H,33,37);1-6,8-16,19,34H,7,17-18H2,(H,30,31);3-13H,23H2,1-2H3,(H,24,25)
InChIKeyBBPCBYRVXNTATG-UHFFFAOYSA-N
MW2465.95 g/mol
LogP28.04
Rot. Bonds20

About 3-[4-[[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]-2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaene;N-[1-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]cyclobutyl]benzamide;N-[1-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]cyclobutyl]benzenesulfonamide;3-[1-[[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]methyl]piperidin-4-yl]-5-phenyl-1H-imidazol-2-one;2-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]propan-2-amine

3-[4-[[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]-2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaene;N-[1-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]cyclobutyl]benzamide;N-[1-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]cyclobutyl]benzenesulfonamide;3-[1-[[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]methyl]piperidin-4-yl]-5-phenyl-1H-imidazol-2-one;2-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]propan-2-amine (PubChem CID 157298291) has the molecular formula C148H129N33O4S and a molecular weight of 2465.95 g/mol. Its IUPAC name is 3-[4-[[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]-2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaene;N-[1-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]cyclobutyl]benzamide;N-[1-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]cyclobutyl]benzenesulfonamide;3-[1-[[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]methyl]piperidin-4-yl]-5-phenyl-1H-imidazol-2-one;2-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name3-[4-[[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]-2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaene;N-[1-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]cyclobutyl]benzamide;N-[1-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]cyclobutyl]benzenesulfonamide;3-[1-[[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]methyl]piperidin-4-yl]-5-phenyl-1H-imidazol-2-one;2-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]propan-2-amine
PubChem CID157298291
Molecular FormulaC148H129N33O4S
Molecular Weight2465.95 g/mol
Exact Mass2464.06
IUPAC Name3-[4-[[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]-2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaene;N-[1-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]cyclobutyl]benzamide;N-[1-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]cyclobutyl]benzenesulfonamide;3-[1-[[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]methyl]piperidin-4-yl]-5-phenyl-1H-imidazol-2-one;2-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]propan-2-amine
SMILESCC(C)(N)c1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1.O=C(NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1)c1ccccc1.O=S(=O)(NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1)c1ccccc1.O=c1[nH]c(-c2ccccc2)cn1C1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1.c1ccc2c(c1)Nc1ncccc1-n1c(-c3ccc(CN4CCC(C5CNc6ccccc65)CC4)cc3)nnc1-2
InChIInChI=1S/C34H30N8O.C33H31N7.C30H24N6O.C29H24N6O2S.C22H20N6/c43-34-37-29(24-7-2-1-3-8-24)22-41(34)26-16-19-40(20-17-26)21-23-12-14-25(15-13-23)32-38-39-33-27-9-4-5-10-28(27)36-31-30(42(32)33)11-6-18-35-31;1-3-8-28-25(6-1)27(20-35-28)23-15-18-39(19-16-23)21-22-11-13-24(14-12-22)32-37-38-33-26-7-2-4-9-29(26)36-31-30(40(32)33)10-5-17-34-31;37-29(21-8-2-1-3-9-21)33-30(17-7-18-30)22-15-13-20(14-16-22)27-34-35-28-23-10-4-5-11-24(23)32-26-25(36(27)28)12-6-19-31-26;36-38(37,22-8-2-1-3-9-22)34-29(17-7-18-29)21-15-13-20(14-16-21)27-32-33-28-23-10-4-5-11-24(23)31-26-25(35(27)28)12-6-19-30-26;1-22(2,23)15-11-9-14(10-12-15)20-26-27-21-16-6-3-4-7-17(16)25-19-18(28(20)21)8-5-13-24-19/h1-15,18,22,26H,16-17,19-21H2,(H,35,36)(H,37,43);1-14,17,23,27,35H,15-16,18-21H2,(H,34,36);1-6,8-16,19H,7,17-18H2,(H,31,32)(H,33,37);1-6,8-16,19,34H,7,17-18H2,(H,30,31);3-13H,23H2,1-2H3,(H,24,25)
InChIKeyBBPCBYRVXNTATG-UHFFFAOYSA-N
XLogP28.04
TPSA435.74 Ų
H-Bond Donors10
H-Bond Acceptors34
Rotatable Bonds20
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002465.95
LogP ≤ 528.04
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1034

Analyze 3-[4-[[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]-2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaene;N-[1-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]cyclobutyl]benzamide;N-[1-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]cyclobutyl]benzenesulfonamide;3-[1-[[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]methyl]piperidin-4-yl]-5-phenyl-1H-imidazol-2-one;2-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]propan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]-2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaene;N-[1-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]cyclobutyl]benzamide;N-[1-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]cyclobutyl]benzenesulfonamide;3-[1-[[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]methyl]piperidin-4-yl]-5-phenyl-1H-imidazol-2-one;2-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]propan-2-amine?
The IUPAC name of 3-[4-[[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]-2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaene;N-[1-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]cyclobutyl]benzamide;N-[1-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]cyclobutyl]benzenesulfonamide;3-[1-[[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]methyl]piperidin-4-yl]-5-phenyl-1H-imidazol-2-one;2-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]propan-2-amine (CID 157298291) is 3-[4-[[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]-2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaene;N-[1-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]cyclobutyl]benzamide;N-[1-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]cyclobutyl]benzenesulfonamide;3-[1-[[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]methyl]piperidin-4-yl]-5-phenyl-1H-imidazol-2-one;2-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]propan-2-amine.
What is the SMILES notation for 3-[4-[[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]-2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaene;N-[1-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]cyclobutyl]benzamide;N-[1-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]cyclobutyl]benzenesulfonamide;3-[1-[[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]methyl]piperidin-4-yl]-5-phenyl-1H-imidazol-2-one;2-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]propan-2-amine?
The canonical SMILES for 3-[4-[[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]-2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaene;N-[1-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]cyclobutyl]benzamide;N-[1-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]cyclobutyl]benzenesulfonamide;3-[1-[[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]methyl]piperidin-4-yl]-5-phenyl-1H-imidazol-2-one;2-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]propan-2-amine is CC(C)(N)c1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1.O=C(NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1)c1ccccc1.O=S(=O)(NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1)c1ccccc1.O=c1[nH]c(-c2ccccc2)cn1C1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1.c1ccc2c(c1)Nc1ncccc1-n1c(-c3ccc(CN4CCC(C5CNc6ccccc65)CC4)cc3)nnc1-2.
What is the InChIKey of 3-[4-[[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]-2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaene;N-[1-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]cyclobutyl]benzamide;N-[1-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]cyclobutyl]benzenesulfonamide;3-[1-[[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]methyl]piperidin-4-yl]-5-phenyl-1H-imidazol-2-one;2-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]propan-2-amine?
The InChIKey is BBPCBYRVXNTATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N8O.C33H31N7.C30H24N6O.C29H24N6O2S.C22H20N6/c43-34-37-29(24-7-2-1-3-8-24)22-41(34)26-16-19-40(20-17-26)21-23-12-14-25(15-13-23)32-38-39-33-27-9-4-5-10-28(27)36-31-30(42(32)33)11-6-18-35-31;1-3-8-28-25(6-1)27(20-35-28)23-15-18-39(19-16-23)21-22-11-13-24(14-12-22)32-37-38-33-26-7-2-4-9-29(26)36-31-30(40(32)33)10-5-17-34-31;37-29(21-8-2-1-3-9-21)33-30(17-7-18-30)22-15-13-20(14-16-22)27-34-35-28-23-10-4-5-11-24(23)32-26-25(36(27)28)12-6-19-31-26;36-38(37,22-8-2-1-3-9-22)34-29(17-7-18-29)21-15-13-20(14-16-21)27-32-33-28-23-10-4-5-11-24(23)31-26-25(35(27)28)12-6-19-30-26;1-22(2,23)15-11-9-14(10-12-15)20-26-27-21-16-6-3-4-7-17(16)25-19-18(28(20)21)8-5-13-24-19/h1-15,18,22,26H,16-17,19-21H2,(H,35,36)(H,37,43);1-14,17,23,27,35H,15-16,18-21H2,(H,34,36);1-6,8-16,19H,7,17-18H2,(H,31,32)(H,33,37);1-6,8-16,19,34H,7,17-18H2,(H,30,31);3-13H,23H2,1-2H3,(H,24,25).
What are the key properties of 3-[4-[[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]-2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaene;N-[1-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]cyclobutyl]benzamide;N-[1-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]cyclobutyl]benzenesulfonamide;3-[1-[[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]methyl]piperidin-4-yl]-5-phenyl-1H-imidazol-2-one;2-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]propan-2-amine?
3-[4-[[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]-2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaene;N-[1-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]cyclobutyl]benzamide;N-[1-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]cyclobutyl]benzenesulfonamide;3-[1-[[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]methyl]piperidin-4-yl]-5-phenyl-1H-imidazol-2-one;2-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]propan-2-amine has a molecular weight of 2465.95 g/mol, XLogP of 28.04, 20 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-(2,3-dihydro-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]-2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaene;N-[1-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]cyclobutyl]benzamide;N-[1-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]cyclobutyl]benzenesulfonamide;3-[1-[[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]methyl]piperidin-4-yl]-5-phenyl-1H-imidazol-2-one;2-[4-(2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaen-3-yl)phenyl]propan-2-amine is sourced from PubChem (CID 157298291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).