2-[[(1R,2S)-2-aminocyclopentyl]amino]-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;2-[[(1R,2S)-2-azidocyclopentyl]amino]-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;2-bromo-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;[(1R,2R)-2-[[6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethyl-5,7-dioxoimidazo[4,5-b]pyridin-2-yl]amino]cyclopentyl] methanesulfonate;6-[(4-chloro-1H-indol-2-yl)methyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;ethanol;methanol;trans-(1R,2R)-2-aminocyclopentan-1-ol

C114H133BrCl5N29O17S — CID 158995210

About 2-[[(1R,2S)-2-aminocyclopentyl]amino]-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;2-[[(1R,2S)-2-azidocyclopentyl]amino]-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;2-bromo-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;[(1R,2R)-2-[[6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethyl-5,7-dioxoimidazo[4,5-b]pyridin-2-yl]amino]cyclopentyl] methanesulfonate;6-[(4-chloro-1H-indol-2-yl)methyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;ethanol;methanol;trans-(1R,2R)-2-aminocyclopentan-1-ol

2-[[(1R,2S)-2-aminocyclopentyl]amino]-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;2-[[(1R,2S)-2-azidocyclopentyl]amino]-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;2-bromo-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;[(1R,2R)-2-[[6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethyl-5,7-dioxoimidazo[4,5-b]pyridin-2-yl]amino]cyclopentyl] methanesulfonate;6-[(4-chloro-1H-indol-2-yl)methyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;ethanol;methanol;trans-(1R,2R)-2-aminocyclopentan-1-ol (PubChem CID 158995210) has the molecular formula C114H133BrCl5N29O17S and a molecular weight of 2470.74 g/mol. Its IUPAC name is 2-[[(1R,2S)-2-aminocyclopentyl]amino]-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;2-[[(1R,2S)-2-azidocyclopentyl]amino]-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;2-bromo-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;[(1R,2R)-2-[[6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethyl-5,7-dioxoimidazo[4,5-b]pyridin-2-yl]amino]cyclopentyl] methanesulfonate;6-[(4-chloro-1H-indol-2-yl)methyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;ethanol;methanol;trans-(1R,2R)-2-aminocyclopentan-1-ol.

Molecular Properties

• Compound Name: 2-[[(1R,2S)-2-aminocyclopentyl]amino]-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;2-[[(1R,2S)-2-azidocyclopentyl]amino]-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;2-bromo-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;[(1R,2R)-2-[[6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethyl-5,7-dioxoimidazo[4,5-b]pyridin-2-yl]amino]cyclopentyl] methanesulfonate;6-[(4-chloro-1H-indol-2-yl)methyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;ethanol;methanol;trans-(1R,2R)-2-aminocyclopentan-1-ol
• PubChem CID: 158995210
• Molecular Formula: C114H133BrCl5N29O17S
• Molecular Weight: 2470.74 g/mol
• Exact Mass: 2465.78
• IUPAC Name: 2-[[(1R,2S)-2-aminocyclopentyl]amino]-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;2-[[(1R,2S)-2-azidocyclopentyl]amino]-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;2-bromo-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;[(1R,2R)-2-[[6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethyl-5,7-dioxoimidazo[4,5-b]pyridin-2-yl]amino]cyclopentyl] methanesulfonate;6-[(4-chloro-1H-indol-2-yl)methyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;ethanol;methanol;trans-(1R,2R)-2-aminocyclopentan-1-ol
• SMILES: CCO.CN1C(=O)C(Cc2cc3c(Cl)cccc3[nH]2)C(=O)c2c1nc(Br)n2C.CN1C(=O)C(Cc2cc3c(Cl)cccc3[nH]2)C(=O)c2c1nc(N[C@@H]1CCC[C@@H]1N)n2C.CN1C(=O)C(Cc2cc3c(Cl)cccc3[nH]2)C(=O)c2c1nc(N[C@@H]1CCC[C@@H]1N=[N+]=[N-])n2C.CN1C(=O)C(Cc2cc3c(Cl)cccc3[nH]2)C(=O)c2c1nc(N[C@@H]1CCC[C@H]1O)n2C.CN1C(=O)C(Cc2cc3c(Cl)cccc3[nH]2)C(=O)c2c1nc(N[C@@H]1CCC[C@H]1OS(C)(=O)=O)n2C.CO.N[C@@H]1CCC[C@H]1O
• InChI: InChI=1S/C23H26ClN5O5S.C22H23ClN8O2.C22H25ClN6O2.C22H24ClN5O3.C17H14BrClN4O2.C5H11NO.C2H6O.CH4O/c1-28-19-20(30)14(11-12-10-13-15(24)6-4-7-16(13)25-12)22(31)29(2)21(19)27-23(28)26-17-8-5-9-18(17)34-35(3,32)33;1-30-18-19(32)13(10-11-9-12-14(23)5-3-6-15(12)25-11)21(33)31(2)20(18)27-22(30)26-16-7-4-8-17(16)28-29-24;1-28-18-19(30)13(10-11-9-12-14(23)5-3-7-16(12)25-11)21(31)29(2)20(18)27-22(28)26-17-8-4-6-15(17)24;1-27-18-19(30)13(10-11-9-12-14(23)5-3-6-15(12)24-11)21(31)28(2)20(18)26-22(27)25-16-7-4-8-17(16)29;1-22-13-14(24)10(16(25)23(2)15(13)21-17(22)18)7-8-6-9-11(19)4-3-5-12(9)20-8;6-4-2-1-3-5(4)7;1-2-3;1-2/h4,6-7,10,14,17-18,25H,5,8-9,11H2,1-3H3,(H,26,27);3,5-6,9,13,16-17,25H,4,7-8,10H2,1-2H3,(H,26,27);3,5,7,9,13,15,17,25H,4,6,8,10,24H2,1-2H3,(H,26,27);3,5-6,9,13,16-17,24,29H,4,7-8,10H2,1-2H3,(H,25,26);3-6,10,20H,7H2,1-2H3;4-5,7H,1-3,6H2;3H,2H2,1H3;2H,1H3/t14?,17-,18-;13?,16-,17+;13?,15-,17+;13?,16-,17-;;4-,5-;;/m1101.1../s1
• InChIKey: JQQTYPLFKPBWRU-JAHULMLNSA-N
• XLogP: 15.66
• TPSA: 628.16 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 34
• Rotatable Bonds: 21
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2470.74
LogP ≤ 5	15.66
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2S)-2-aminocyclopentyl]amino]-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;2-[[(1R,2S)-2-azidocyclopentyl]amino]-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;2-bromo-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;[(1R,2R)-2-[[6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethyl-5,7-dioxoimidazo[4,5-b]pyridin-2-yl]amino]cyclopentyl] methanesulfonate;6-[(4-chloro-1H-indol-2-yl)methyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;ethanol;methanol;trans-(1R,2R)-2-aminocyclopentan-1-ol?

The IUPAC name of 2-[[(1R,2S)-2-aminocyclopentyl]amino]-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;2-[[(1R,2S)-2-azidocyclopentyl]amino]-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;2-bromo-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;[(1R,2R)-2-[[6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethyl-5,7-dioxoimidazo[4,5-b]pyridin-2-yl]amino]cyclopentyl] methanesulfonate;6-[(4-chloro-1H-indol-2-yl)methyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;ethanol;methanol;trans-(1R,2R)-2-aminocyclopentan-1-ol (CID 158995210) is 2-[[(1R,2S)-2-aminocyclopentyl]amino]-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;2-[[(1R,2S)-2-azidocyclopentyl]amino]-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;2-bromo-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;[(1R,2R)-2-[[6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethyl-5,7-dioxoimidazo[4,5-b]pyridin-2-yl]amino]cyclopentyl] methanesulfonate;6-[(4-chloro-1H-indol-2-yl)methyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;ethanol;methanol;trans-(1R,2R)-2-aminocyclopentan-1-ol.

What is the SMILES notation for 2-[[(1R,2S)-2-aminocyclopentyl]amino]-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;2-[[(1R,2S)-2-azidocyclopentyl]amino]-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;2-bromo-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;[(1R,2R)-2-[[6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethyl-5,7-dioxoimidazo[4,5-b]pyridin-2-yl]amino]cyclopentyl] methanesulfonate;6-[(4-chloro-1H-indol-2-yl)methyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;ethanol;methanol;trans-(1R,2R)-2-aminocyclopentan-1-ol?

The canonical SMILES for 2-[[(1R,2S)-2-aminocyclopentyl]amino]-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;2-[[(1R,2S)-2-azidocyclopentyl]amino]-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;2-bromo-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;[(1R,2R)-2-[[6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethyl-5,7-dioxoimidazo[4,5-b]pyridin-2-yl]amino]cyclopentyl] methanesulfonate;6-[(4-chloro-1H-indol-2-yl)methyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;ethanol;methanol;trans-(1R,2R)-2-aminocyclopentan-1-ol is CCO.CN1C(=O)C(Cc2cc3c(Cl)cccc3[nH]2)C(=O)c2c1nc(Br)n2C.CN1C(=O)C(Cc2cc3c(Cl)cccc3[nH]2)C(=O)c2c1nc(N[C@@H]1CCC[C@@H]1N)n2C.CN1C(=O)C(Cc2cc3c(Cl)cccc3[nH]2)C(=O)c2c1nc(N[C@@H]1CCC[C@@H]1N=[N+]=[N-])n2C.CN1C(=O)C(Cc2cc3c(Cl)cccc3[nH]2)C(=O)c2c1nc(N[C@@H]1CCC[C@H]1O)n2C.CN1C(=O)C(Cc2cc3c(Cl)cccc3[nH]2)C(=O)c2c1nc(N[C@@H]1CCC[C@H]1OS(C)(=O)=O)n2C.CO.N[C@@H]1CCC[C@H]1O.

What is the InChIKey of 2-[[(1R,2S)-2-aminocyclopentyl]amino]-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;2-[[(1R,2S)-2-azidocyclopentyl]amino]-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;2-bromo-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;[(1R,2R)-2-[[6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethyl-5,7-dioxoimidazo[4,5-b]pyridin-2-yl]amino]cyclopentyl] methanesulfonate;6-[(4-chloro-1H-indol-2-yl)methyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;ethanol;methanol;trans-(1R,2R)-2-aminocyclopentan-1-ol?

The InChIKey is JQQTYPLFKPBWRU-JAHULMLNSA-N. The full InChI is InChI=1S/C23H26ClN5O5S.C22H23ClN8O2.C22H25ClN6O2.C22H24ClN5O3.C17H14BrClN4O2.C5H11NO.C2H6O.CH4O/c1-28-19-20(30)14(11-12-10-13-15(24)6-4-7-16(13)25-12)22(31)29(2)21(19)27-23(28)26-17-8-5-9-18(17)34-35(3,32)33;1-30-18-19(32)13(10-11-9-12-14(23)5-3-6-15(12)25-11)21(33)31(2)20(18)27-22(30)26-16-7-4-8-17(16)28-29-24;1-28-18-19(30)13(10-11-9-12-14(23)5-3-7-16(12)25-11)21(31)29(2)20(18)27-22(28)26-17-8-4-6-15(17)24;1-27-18-19(30)13(10-11-9-12-14(23)5-3-6-15(12)24-11)21(31)28(2)20(18)26-22(27)25-16-7-4-8-17(16)29;1-22-13-14(24)10(16(25)23(2)15(13)21-17(22)18)7-8-6-9-11(19)4-3-5-12(9)20-8;6-4-2-1-3-5(4)7;1-2-3;1-2/h4,6-7,10,14,17-18,25H,5,8-9,11H2,1-3H3,(H,26,27);3,5-6,9,13,16-17,25H,4,7-8,10H2,1-2H3,(H,26,27);3,5,7,9,13,15,17,25H,4,6,8,10,24H2,1-2H3,(H,26,27);3,5-6,9,13,16-17,24,29H,4,7-8,10H2,1-2H3,(H,25,26);3-6,10,20H,7H2,1-2H3;4-5,7H,1-3,6H2;3H,2H2,1H3;2H,1H3/t14?,17-,18-;13?,16-,17+;13?,15-,17+;13?,16-,17-;;4-,5-;;/m1101.1../s1.

What are the key properties of 2-[[(1R,2S)-2-aminocyclopentyl]amino]-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;2-[[(1R,2S)-2-azidocyclopentyl]amino]-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;2-bromo-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;[(1R,2R)-2-[[6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethyl-5,7-dioxoimidazo[4,5-b]pyridin-2-yl]amino]cyclopentyl] methanesulfonate;6-[(4-chloro-1H-indol-2-yl)methyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;ethanol;methanol;trans-(1R,2R)-2-aminocyclopentan-1-ol?

2-[[(1R,2S)-2-aminocyclopentyl]amino]-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;2-[[(1R,2S)-2-azidocyclopentyl]amino]-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;2-bromo-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;[(1R,2R)-2-[[6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethyl-5,7-dioxoimidazo[4,5-b]pyridin-2-yl]amino]cyclopentyl] methanesulfonate;6-[(4-chloro-1H-indol-2-yl)methyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;ethanol;methanol;trans-(1R,2R)-2-aminocyclopentan-1-ol has a molecular weight of 2470.74 g/mol, XLogP of 15.66, 21 rotatable bonds, 15 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(1R,2S)-2-aminocyclopentyl]amino]-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;2-[[(1R,2S)-2-azidocyclopentyl]amino]-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;2-bromo-6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;[(1R,2R)-2-[[6-[(4-chloro-1H-indol-2-yl)methyl]-1,4-dimethyl-5,7-dioxoimidazo[4,5-b]pyridin-2-yl]amino]cyclopentyl] methanesulfonate;6-[(4-chloro-1H-indol-2-yl)methyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1,4-dimethylimidazo[4,5-b]pyridine-5,7-dione;ethanol;methanol;trans-(1R,2R)-2-aminocyclopentan-1-ol is sourced from PubChem (CID 158995210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).