3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,2-N-dimethyl-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-yl]acetamide;N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-yl]methanesulfonamide;3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]-2-N-(1,1,1-trifluoropropan-2-yl)propane-1,2-diamine;3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N-methyl-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]-5-(3-methylbenzimidazol-5-yl)pyridin-3-amine

C185H207F6N41O3S — CID 160598680

IUPAC3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,2-N-dimethyl-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-yl]acetamide;N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-yl]methanesulfonamide;3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]-2-N-(1,1,1-trifluoropropan-2-yl)propane-1,2-diamine;3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N-methyl-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]-5-(3-methylbenzimidazol-5-yl)pyridin-3-amine
SMILESCC(=O)NC(CNc1cncc(-c2ccc3ncn(C)c3c2)c1)CN1CCc2ccccc2C1.CC(NC(CNc1cncc(-c2ccc3ncn(C)c3c2)c1)CN1CCc2ccccc2C1)C(F)(F)F.CN(C)C(CNc1cncc(-c2ccc3ncn(C)c3c2)c1)CN1CCc2ccccc2C1.CNC(CNc1cncc(-c2ccc3ncn(C)c3c2)c1)CN1CCc2ccccc2C1.Cn1cnc2ccc(-c3cncc(NCC(CN4CCc5ccccc5C4)C(F)(F)F)c3)cc21.Cn1cnc2ccc(-c3cncc(NCC(CN4CCc5ccccc5C4)NS(C)(=O)=O)c3)cc21.Cn1cnc2ccc(-c3cncc(NCC(N)CN4CCc5ccccc5C4)c3)cc21
InChIInChI=1S/C28H31F3N6.C27H30N6O.C27H32N6.C26H26F3N5.C26H30N6O2S.C26H30N6.C25H28N6/c1-19(28(29,30)31)35-25(17-37-10-9-20-5-3-4-6-22(20)16-37)15-33-24-11-23(13-32-14-24)21-7-8-26-27(12-21)36(2)18-34-26;1-19(34)31-25(17-33-10-9-20-5-3-4-6-22(20)16-33)15-29-24-11-23(13-28-14-24)21-7-8-26-27(12-21)32(2)18-30-26;1-31(2)25(18-33-11-10-20-6-4-5-7-22(20)17-33)16-29-24-12-23(14-28-15-24)21-8-9-26-27(13-21)32(3)19-30-26;1-33-17-32-24-7-6-19(11-25(24)33)21-10-23(14-30-12-21)31-13-22(26(27,28)29)16-34-9-8-18-4-2-3-5-20(18)15-34;1-31-18-29-25-8-7-20(12-26(25)31)22-11-23(14-27-13-22)28-15-24(30-35(2,33)34)17-32-10-9-19-5-3-4-6-21(19)16-32;1-27-24(17-32-10-9-19-5-3-4-6-21(19)16-32)15-29-23-11-22(13-28-14-23)20-7-8-25-26(12-20)31(2)18-30-25;1-30-17-29-24-7-6-19(11-25(24)30)21-10-23(14-27-12-21)28-13-22(26)16-31-9-8-18-4-2-3-5-20(18)15-31/h3-8,11-14,18-19,25,33,35H,9-10,15-17H2,1-2H3;3-8,11-14,18,25,29H,9-10,15-17H2,1-2H3,(H,31,34);4-9,12-15,19,25,29H,10-11,16-18H2,1-3H3;2-7,10-12,14,17,22,31H,8-9,13,15-16H2,1H3;3-8,11-14,18,24,28,30H,9-10,15-17H2,1-2H3;3-8,11-14,18,24,27,29H,9-10,15-17H2,1-2H3;2-7,10-12,14,17,22,28H,8-9,13,15-16,26H2,1H3
InChIKeyRDZCYGGLRWGLIE-UHFFFAOYSA-N
MW3199.03 g/mol
LogP28.09
Rot. Bonds49

About 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,2-N-dimethyl-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-yl]acetamide;N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-yl]methanesulfonamide;3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]-2-N-(1,1,1-trifluoropropan-2-yl)propane-1,2-diamine;3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N-methyl-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]-5-(3-methylbenzimidazol-5-yl)pyridin-3-amine

3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,2-N-dimethyl-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-yl]acetamide;N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-yl]methanesulfonamide;3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]-2-N-(1,1,1-trifluoropropan-2-yl)propane-1,2-diamine;3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N-methyl-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]-5-(3-methylbenzimidazol-5-yl)pyridin-3-amine (PubChem CID 160598680) has the molecular formula C185H207F6N41O3S and a molecular weight of 3199.03 g/mol. Its IUPAC name is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,2-N-dimethyl-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-yl]acetamide;N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-yl]methanesulfonamide;3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]-2-N-(1,1,1-trifluoropropan-2-yl)propane-1,2-diamine;3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N-methyl-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]-5-(3-methylbenzimidazol-5-yl)pyridin-3-amine.

Molecular Properties

Compound Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,2-N-dimethyl-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-yl]acetamide;N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-yl]methanesulfonamide;3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]-2-N-(1,1,1-trifluoropropan-2-yl)propane-1,2-diamine;3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N-methyl-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]-5-(3-methylbenzimidazol-5-yl)pyridin-3-amine
PubChem CID160598680
Molecular FormulaC185H207F6N41O3S
Molecular Weight3199.03 g/mol
Exact Mass3196.69
IUPAC Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,2-N-dimethyl-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-yl]acetamide;N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-yl]methanesulfonamide;3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]-2-N-(1,1,1-trifluoropropan-2-yl)propane-1,2-diamine;3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N-methyl-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]-5-(3-methylbenzimidazol-5-yl)pyridin-3-amine
SMILESCC(=O)NC(CNc1cncc(-c2ccc3ncn(C)c3c2)c1)CN1CCc2ccccc2C1.CC(NC(CNc1cncc(-c2ccc3ncn(C)c3c2)c1)CN1CCc2ccccc2C1)C(F)(F)F.CN(C)C(CNc1cncc(-c2ccc3ncn(C)c3c2)c1)CN1CCc2ccccc2C1.CNC(CNc1cncc(-c2ccc3ncn(C)c3c2)c1)CN1CCc2ccccc2C1.Cn1cnc2ccc(-c3cncc(NCC(CN4CCc5ccccc5C4)C(F)(F)F)c3)cc21.Cn1cnc2ccc(-c3cncc(NCC(CN4CCc5ccccc5C4)NS(C)(=O)=O)c3)cc21.Cn1cnc2ccc(-c3cncc(NCC(N)CN4CCc5ccccc5C4)c3)cc21
InChIInChI=1S/C28H31F3N6.C27H30N6O.C27H32N6.C26H26F3N5.C26H30N6O2S.C26H30N6.C25H28N6/c1-19(28(29,30)31)35-25(17-37-10-9-20-5-3-4-6-22(20)16-37)15-33-24-11-23(13-32-14-24)21-7-8-26-27(12-21)36(2)18-34-26;1-19(34)31-25(17-33-10-9-20-5-3-4-6-22(20)16-33)15-29-24-11-23(13-28-14-24)21-7-8-26-27(12-21)32(2)18-30-26;1-31(2)25(18-33-11-10-20-6-4-5-7-22(20)17-33)16-29-24-12-23(14-28-15-24)21-8-9-26-27(13-21)32(3)19-30-26;1-33-17-32-24-7-6-19(11-25(24)33)21-10-23(14-30-12-21)31-13-22(26(27,28)29)16-34-9-8-18-4-2-3-5-20(18)15-34;1-31-18-29-25-8-7-20(12-26(25)31)22-11-23(14-27-13-22)28-15-24(30-35(2,33)34)17-32-10-9-19-5-3-4-6-21(19)16-32;1-27-24(17-32-10-9-19-5-3-4-6-21(19)16-32)15-29-23-11-22(13-28-14-23)20-7-8-25-26(12-20)31(2)18-30-25;1-30-17-29-24-7-6-19(11-25(24)30)21-10-23(14-27-12-21)28-13-22(26)16-31-9-8-18-4-2-3-5-20(18)15-31/h3-8,11-14,18-19,25,33,35H,9-10,15-17H2,1-2H3;3-8,11-14,18,25,29H,9-10,15-17H2,1-2H3,(H,31,34);4-9,12-15,19,25,29H,10-11,16-18H2,1-3H3;2-7,10-12,14,17,22,31H,8-9,13,15-16H2,1H3;3-8,11-14,18,24,28,30H,9-10,15-17H2,1-2H3;3-8,11-14,18,24,27,29H,9-10,15-17H2,1-2H3;2-7,10-12,14,17,22,28H,8-9,13,15-16,26H2,1H3
InChIKeyRDZCYGGLRWGLIE-UHFFFAOYSA-N
XLogP28.09
TPSA450.45 Ų
H-Bond Donors12
H-Bond Acceptors42
Rotatable Bonds49
Heavy Atoms236
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003199.03
LogP ≤ 528.09
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1042

Analyze 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,2-N-dimethyl-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-yl]acetamide;N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-yl]methanesulfonamide;3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]-2-N-(1,1,1-trifluoropropan-2-yl)propane-1,2-diamine;3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N-methyl-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]-5-(3-methylbenzimidazol-5-yl)pyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,2-N-dimethyl-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-yl]acetamide;N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-yl]methanesulfonamide;3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]-2-N-(1,1,1-trifluoropropan-2-yl)propane-1,2-diamine;3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N-methyl-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]-5-(3-methylbenzimidazol-5-yl)pyridin-3-amine?
The IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,2-N-dimethyl-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-yl]acetamide;N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-yl]methanesulfonamide;3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]-2-N-(1,1,1-trifluoropropan-2-yl)propane-1,2-diamine;3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N-methyl-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]-5-(3-methylbenzimidazol-5-yl)pyridin-3-amine (CID 160598680) is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,2-N-dimethyl-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-yl]acetamide;N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-yl]methanesulfonamide;3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]-2-N-(1,1,1-trifluoropropan-2-yl)propane-1,2-diamine;3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N-methyl-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]-5-(3-methylbenzimidazol-5-yl)pyridin-3-amine.
What is the SMILES notation for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,2-N-dimethyl-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-yl]acetamide;N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-yl]methanesulfonamide;3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]-2-N-(1,1,1-trifluoropropan-2-yl)propane-1,2-diamine;3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N-methyl-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]-5-(3-methylbenzimidazol-5-yl)pyridin-3-amine?
The canonical SMILES for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,2-N-dimethyl-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-yl]acetamide;N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-yl]methanesulfonamide;3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]-2-N-(1,1,1-trifluoropropan-2-yl)propane-1,2-diamine;3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N-methyl-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]-5-(3-methylbenzimidazol-5-yl)pyridin-3-amine is CC(=O)NC(CNc1cncc(-c2ccc3ncn(C)c3c2)c1)CN1CCc2ccccc2C1.CC(NC(CNc1cncc(-c2ccc3ncn(C)c3c2)c1)CN1CCc2ccccc2C1)C(F)(F)F.CN(C)C(CNc1cncc(-c2ccc3ncn(C)c3c2)c1)CN1CCc2ccccc2C1.CNC(CNc1cncc(-c2ccc3ncn(C)c3c2)c1)CN1CCc2ccccc2C1.Cn1cnc2ccc(-c3cncc(NCC(CN4CCc5ccccc5C4)C(F)(F)F)c3)cc21.Cn1cnc2ccc(-c3cncc(NCC(CN4CCc5ccccc5C4)NS(C)(=O)=O)c3)cc21.Cn1cnc2ccc(-c3cncc(NCC(N)CN4CCc5ccccc5C4)c3)cc21.
What is the InChIKey of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,2-N-dimethyl-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-yl]acetamide;N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-yl]methanesulfonamide;3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]-2-N-(1,1,1-trifluoropropan-2-yl)propane-1,2-diamine;3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N-methyl-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]-5-(3-methylbenzimidazol-5-yl)pyridin-3-amine?
The InChIKey is RDZCYGGLRWGLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F3N6.C27H30N6O.C27H32N6.C26H26F3N5.C26H30N6O2S.C26H30N6.C25H28N6/c1-19(28(29,30)31)35-25(17-37-10-9-20-5-3-4-6-22(20)16-37)15-33-24-11-23(13-32-14-24)21-7-8-26-27(12-21)36(2)18-34-26;1-19(34)31-25(17-33-10-9-20-5-3-4-6-22(20)16-33)15-29-24-11-23(13-28-14-24)21-7-8-26-27(12-21)32(2)18-30-26;1-31(2)25(18-33-11-10-20-6-4-5-7-22(20)17-33)16-29-24-12-23(14-28-15-24)21-8-9-26-27(13-21)32(3)19-30-26;1-33-17-32-24-7-6-19(11-25(24)33)21-10-23(14-30-12-21)31-13-22(26(27,28)29)16-34-9-8-18-4-2-3-5-20(18)15-34;1-31-18-29-25-8-7-20(12-26(25)31)22-11-23(14-27-13-22)28-15-24(30-35(2,33)34)17-32-10-9-19-5-3-4-6-21(19)16-32;1-27-24(17-32-10-9-19-5-3-4-6-21(19)16-32)15-29-23-11-22(13-28-14-23)20-7-8-25-26(12-20)31(2)18-30-25;1-30-17-29-24-7-6-19(11-25(24)30)21-10-23(14-27-12-21)28-13-22(26)16-31-9-8-18-4-2-3-5-20(18)15-31/h3-8,11-14,18-19,25,33,35H,9-10,15-17H2,1-2H3;3-8,11-14,18,25,29H,9-10,15-17H2,1-2H3,(H,31,34);4-9,12-15,19,25,29H,10-11,16-18H2,1-3H3;2-7,10-12,14,17,22,31H,8-9,13,15-16H2,1H3;3-8,11-14,18,24,28,30H,9-10,15-17H2,1-2H3;3-8,11-14,18,24,27,29H,9-10,15-17H2,1-2H3;2-7,10-12,14,17,22,28H,8-9,13,15-16,26H2,1H3.
What are the key properties of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,2-N-dimethyl-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-yl]acetamide;N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-yl]methanesulfonamide;3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]-2-N-(1,1,1-trifluoropropan-2-yl)propane-1,2-diamine;3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N-methyl-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]-5-(3-methylbenzimidazol-5-yl)pyridin-3-amine?
3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,2-N-dimethyl-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-yl]acetamide;N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-yl]methanesulfonamide;3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]-2-N-(1,1,1-trifluoropropan-2-yl)propane-1,2-diamine;3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N-methyl-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]-5-(3-methylbenzimidazol-5-yl)pyridin-3-amine has a molecular weight of 3199.03 g/mol, XLogP of 28.09, 49 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N,2-N-dimethyl-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-yl]acetamide;N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-yl]methanesulfonamide;3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]-2-N-(1,1,1-trifluoropropan-2-yl)propane-1,2-diamine;3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-N-methyl-1-N-[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]propane-1,2-diamine;N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]-5-(3-methylbenzimidazol-5-yl)pyridin-3-amine is sourced from PubChem (CID 160598680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).