6-(3-aminopropylamino)-1-[(2,3-dichlorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-one;2-bromo-N-[(2,3-dichlorophenyl)methyl]-5-nitropyridin-4-amine;tert-butyl N-[3-[[5-amino-4-[(2,3-dichlorophenyl)methylamino]-2-pyridinyl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[(2,3-dichlorophenyl)methylamino]-5-nitro-2-pyridinyl]amino]propyl]carbamate;tert-butyl N-[3-[[1-[(2,3-dichlorophenyl)methyl]-2-oxo-3H-imidazo[4,5-c]pyridin-6-yl]amino]propyl]carbamate;2,2,2-trifluoroacetaldehyde

C99H121BrCl10F3N25O15 — CID 157223813

About 6-(3-aminopropylamino)-1-[(2,3-dichlorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-one;2-bromo-N-[(2,3-dichlorophenyl)methyl]-5-nitropyridin-4-amine;tert-butyl N-[3-[[5-amino-4-[(2,3-dichlorophenyl)methylamino]-2-pyridinyl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[(2,3-dichlorophenyl)methylamino]-5-nitro-2-pyridinyl]amino]propyl]carbamate;tert-butyl N-[3-[[1-[(2,3-dichlorophenyl)methyl]-2-oxo-3H-imidazo[4,5-c]pyridin-6-yl]amino]propyl]carbamate;2,2,2-trifluoroacetaldehyde

6-(3-aminopropylamino)-1-[(2,3-dichlorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-one;2-bromo-N-[(2,3-dichlorophenyl)methyl]-5-nitropyridin-4-amine;tert-butyl N-[3-[[5-amino-4-[(2,3-dichlorophenyl)methylamino]-2-pyridinyl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[(2,3-dichlorophenyl)methylamino]-5-nitro-2-pyridinyl]amino]propyl]carbamate;tert-butyl N-[3-[[1-[(2,3-dichlorophenyl)methyl]-2-oxo-3H-imidazo[4,5-c]pyridin-6-yl]amino]propyl]carbamate;2,2,2-trifluoroacetaldehyde (PubChem CID 157223813) has the molecular formula C99H121BrCl10F3N25O15 and a molecular weight of 2392.64 g/mol. Its IUPAC name is 6-(3-aminopropylamino)-1-[(2,3-dichlorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-one;2-bromo-N-[(2,3-dichlorophenyl)methyl]-5-nitropyridin-4-amine;tert-butyl N-[3-[[5-amino-4-[(2,3-dichlorophenyl)methylamino]-2-pyridinyl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[(2,3-dichlorophenyl)methylamino]-5-nitro-2-pyridinyl]amino]propyl]carbamate;tert-butyl N-[3-[[1-[(2,3-dichlorophenyl)methyl]-2-oxo-3H-imidazo[4,5-c]pyridin-6-yl]amino]propyl]carbamate;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: 6-(3-aminopropylamino)-1-[(2,3-dichlorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-one;2-bromo-N-[(2,3-dichlorophenyl)methyl]-5-nitropyridin-4-amine;tert-butyl N-[3-[[5-amino-4-[(2,3-dichlorophenyl)methylamino]-2-pyridinyl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[(2,3-dichlorophenyl)methylamino]-5-nitro-2-pyridinyl]amino]propyl]carbamate;tert-butyl N-[3-[[1-[(2,3-dichlorophenyl)methyl]-2-oxo-3H-imidazo[4,5-c]pyridin-6-yl]amino]propyl]carbamate;2,2,2-trifluoroacetaldehyde
• PubChem CID: 157223813
• Molecular Formula: C99H121BrCl10F3N25O15
• Molecular Weight: 2392.64 g/mol
• Exact Mass: 2385.55
• IUPAC Name: 6-(3-aminopropylamino)-1-[(2,3-dichlorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-one;2-bromo-N-[(2,3-dichlorophenyl)methyl]-5-nitropyridin-4-amine;tert-butyl N-[3-[[5-amino-4-[(2,3-dichlorophenyl)methylamino]-2-pyridinyl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[(2,3-dichlorophenyl)methylamino]-5-nitro-2-pyridinyl]amino]propyl]carbamate;tert-butyl N-[3-[[1-[(2,3-dichlorophenyl)methyl]-2-oxo-3H-imidazo[4,5-c]pyridin-6-yl]amino]propyl]carbamate;2,2,2-trifluoroacetaldehyde
• SMILES: CC(C)(C)OC(=O)NCCCN.CC(C)(C)OC(=O)NCCCNc1cc(NCc2cccc(Cl)c2Cl)c(N)cn1.CC(C)(C)OC(=O)NCCCNc1cc(NCc2cccc(Cl)c2Cl)c([N+](=O)[O-])cn1.CC(C)(C)OC(=O)NCCCNc1cc2c(cn1)[nH]c(=O)n2Cc1cccc(Cl)c1Cl.NCCCNc1cc2c(cn1)[nH]c(=O)n2Cc1cccc(Cl)c1Cl.O=CC(F)(F)F.O=[N+]([O-])c1cnc(Br)cc1NCc1cccc(Cl)c1Cl
• InChI: InChI=1S/C21H25Cl2N5O3.C20H25Cl2N5O4.C20H27Cl2N5O2.C16H17Cl2N5O.C12H8BrCl2N3O2.C8H18N2O2.C2HF3O/c1-21(2,3)31-20(30)25-9-5-8-24-17-10-16-15(11-26-17)27-19(29)28(16)12-13-6-4-7-14(22)18(13)23;1-20(2,3)31-19(28)24-9-5-8-23-17-10-15(16(12-26-17)27(29)30)25-11-13-6-4-7-14(21)18(13)22;1-20(2,3)29-19(28)25-9-5-8-24-17-10-16(15(23)12-27-17)26-11-13-6-4-7-14(21)18(13)22;17-11-4-1-3-10(15(11)18)9-23-13-7-14(20-6-2-5-19)21-8-12(13)22-16(23)24;13-11-4-9(10(6-17-11)18(19)20)16-5-7-2-1-3-8(14)12(7)15;1-8(2,3)12-7(11)10-6-4-5-9;3-2(4,5)1-6/h4,6-7,10-11H,5,8-9,12H2,1-3H3,(H,24,26)(H,25,30)(H,27,29);4,6-7,10,12H,5,8-9,11H2,1-3H3,(H,24,28)(H2,23,25,26);4,6-7,10,12H,5,8-9,11,23H2,1-3H3,(H,25,28)(H2,24,26,27);1,3-4,7-8H,2,5-6,9,19H2,(H,20,21)(H,22,24);1-4,6H,5H2,(H,16,17);4-6,9H2,1-3H3,(H,10,11);1H
• InChIKey: ATHOVWMPMCAAPB-UHFFFAOYSA-N
• XLogP: 23.67
• TPSA: 558.97 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 32
• Rotatable Bonds: 37
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2392.64
LogP ≤ 5	23.67
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopropylamino)-1-[(2,3-dichlorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-one;2-bromo-N-[(2,3-dichlorophenyl)methyl]-5-nitropyridin-4-amine;tert-butyl N-[3-[[5-amino-4-[(2,3-dichlorophenyl)methylamino]-2-pyridinyl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[(2,3-dichlorophenyl)methylamino]-5-nitro-2-pyridinyl]amino]propyl]carbamate;tert-butyl N-[3-[[1-[(2,3-dichlorophenyl)methyl]-2-oxo-3H-imidazo[4,5-c]pyridin-6-yl]amino]propyl]carbamate;2,2,2-trifluoroacetaldehyde?

The IUPAC name of 6-(3-aminopropylamino)-1-[(2,3-dichlorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-one;2-bromo-N-[(2,3-dichlorophenyl)methyl]-5-nitropyridin-4-amine;tert-butyl N-[3-[[5-amino-4-[(2,3-dichlorophenyl)methylamino]-2-pyridinyl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[(2,3-dichlorophenyl)methylamino]-5-nitro-2-pyridinyl]amino]propyl]carbamate;tert-butyl N-[3-[[1-[(2,3-dichlorophenyl)methyl]-2-oxo-3H-imidazo[4,5-c]pyridin-6-yl]amino]propyl]carbamate;2,2,2-trifluoroacetaldehyde (CID 157223813) is 6-(3-aminopropylamino)-1-[(2,3-dichlorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-one;2-bromo-N-[(2,3-dichlorophenyl)methyl]-5-nitropyridin-4-amine;tert-butyl N-[3-[[5-amino-4-[(2,3-dichlorophenyl)methylamino]-2-pyridinyl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[(2,3-dichlorophenyl)methylamino]-5-nitro-2-pyridinyl]amino]propyl]carbamate;tert-butyl N-[3-[[1-[(2,3-dichlorophenyl)methyl]-2-oxo-3H-imidazo[4,5-c]pyridin-6-yl]amino]propyl]carbamate;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for 6-(3-aminopropylamino)-1-[(2,3-dichlorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-one;2-bromo-N-[(2,3-dichlorophenyl)methyl]-5-nitropyridin-4-amine;tert-butyl N-[3-[[5-amino-4-[(2,3-dichlorophenyl)methylamino]-2-pyridinyl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[(2,3-dichlorophenyl)methylamino]-5-nitro-2-pyridinyl]amino]propyl]carbamate;tert-butyl N-[3-[[1-[(2,3-dichlorophenyl)methyl]-2-oxo-3H-imidazo[4,5-c]pyridin-6-yl]amino]propyl]carbamate;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for 6-(3-aminopropylamino)-1-[(2,3-dichlorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-one;2-bromo-N-[(2,3-dichlorophenyl)methyl]-5-nitropyridin-4-amine;tert-butyl N-[3-[[5-amino-4-[(2,3-dichlorophenyl)methylamino]-2-pyridinyl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[(2,3-dichlorophenyl)methylamino]-5-nitro-2-pyridinyl]amino]propyl]carbamate;tert-butyl N-[3-[[1-[(2,3-dichlorophenyl)methyl]-2-oxo-3H-imidazo[4,5-c]pyridin-6-yl]amino]propyl]carbamate;2,2,2-trifluoroacetaldehyde is CC(C)(C)OC(=O)NCCCN.CC(C)(C)OC(=O)NCCCNc1cc(NCc2cccc(Cl)c2Cl)c(N)cn1.CC(C)(C)OC(=O)NCCCNc1cc(NCc2cccc(Cl)c2Cl)c([N+](=O)[O-])cn1.CC(C)(C)OC(=O)NCCCNc1cc2c(cn1)[nH]c(=O)n2Cc1cccc(Cl)c1Cl.NCCCNc1cc2c(cn1)[nH]c(=O)n2Cc1cccc(Cl)c1Cl.O=CC(F)(F)F.O=[N+]([O-])c1cnc(Br)cc1NCc1cccc(Cl)c1Cl.

What is the InChIKey of 6-(3-aminopropylamino)-1-[(2,3-dichlorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-one;2-bromo-N-[(2,3-dichlorophenyl)methyl]-5-nitropyridin-4-amine;tert-butyl N-[3-[[5-amino-4-[(2,3-dichlorophenyl)methylamino]-2-pyridinyl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[(2,3-dichlorophenyl)methylamino]-5-nitro-2-pyridinyl]amino]propyl]carbamate;tert-butyl N-[3-[[1-[(2,3-dichlorophenyl)methyl]-2-oxo-3H-imidazo[4,5-c]pyridin-6-yl]amino]propyl]carbamate;2,2,2-trifluoroacetaldehyde?

The InChIKey is ATHOVWMPMCAAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N5O3.C20H25Cl2N5O4.C20H27Cl2N5O2.C16H17Cl2N5O.C12H8BrCl2N3O2.C8H18N2O2.C2HF3O/c1-21(2,3)31-20(30)25-9-5-8-24-17-10-16-15(11-26-17)27-19(29)28(16)12-13-6-4-7-14(22)18(13)23;1-20(2,3)31-19(28)24-9-5-8-23-17-10-15(16(12-26-17)27(29)30)25-11-13-6-4-7-14(21)18(13)22;1-20(2,3)29-19(28)25-9-5-8-24-17-10-16(15(23)12-27-17)26-11-13-6-4-7-14(21)18(13)22;17-11-4-1-3-10(15(11)18)9-23-13-7-14(20-6-2-5-19)21-8-12(13)22-16(23)24;13-11-4-9(10(6-17-11)18(19)20)16-5-7-2-1-3-8(14)12(7)15;1-8(2,3)12-7(11)10-6-4-5-9;3-2(4,5)1-6/h4,6-7,10-11H,5,8-9,12H2,1-3H3,(H,24,26)(H,25,30)(H,27,29);4,6-7,10,12H,5,8-9,11H2,1-3H3,(H,24,28)(H2,23,25,26);4,6-7,10,12H,5,8-9,11,23H2,1-3H3,(H,25,28)(H2,24,26,27);1,3-4,7-8H,2,5-6,9,19H2,(H,20,21)(H,22,24);1-4,6H,5H2,(H,16,17);4-6,9H2,1-3H3,(H,10,11);1H.

What are the key properties of 6-(3-aminopropylamino)-1-[(2,3-dichlorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-one;2-bromo-N-[(2,3-dichlorophenyl)methyl]-5-nitropyridin-4-amine;tert-butyl N-[3-[[5-amino-4-[(2,3-dichlorophenyl)methylamino]-2-pyridinyl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[(2,3-dichlorophenyl)methylamino]-5-nitro-2-pyridinyl]amino]propyl]carbamate;tert-butyl N-[3-[[1-[(2,3-dichlorophenyl)methyl]-2-oxo-3H-imidazo[4,5-c]pyridin-6-yl]amino]propyl]carbamate;2,2,2-trifluoroacetaldehyde?

6-(3-aminopropylamino)-1-[(2,3-dichlorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-one;2-bromo-N-[(2,3-dichlorophenyl)methyl]-5-nitropyridin-4-amine;tert-butyl N-[3-[[5-amino-4-[(2,3-dichlorophenyl)methylamino]-2-pyridinyl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[(2,3-dichlorophenyl)methylamino]-5-nitro-2-pyridinyl]amino]propyl]carbamate;tert-butyl N-[3-[[1-[(2,3-dichlorophenyl)methyl]-2-oxo-3H-imidazo[4,5-c]pyridin-6-yl]amino]propyl]carbamate;2,2,2-trifluoroacetaldehyde has a molecular weight of 2392.64 g/mol, XLogP of 23.67, 37 rotatable bonds, 16 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-aminopropylamino)-1-[(2,3-dichlorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-one;2-bromo-N-[(2,3-dichlorophenyl)methyl]-5-nitropyridin-4-amine;tert-butyl N-[3-[[5-amino-4-[(2,3-dichlorophenyl)methylamino]-2-pyridinyl]amino]propyl]carbamate;tert-butyl N-(3-aminopropyl)carbamate;tert-butyl N-[3-[[4-[(2,3-dichlorophenyl)methylamino]-5-nitro-2-pyridinyl]amino]propyl]carbamate;tert-butyl N-[3-[[1-[(2,3-dichlorophenyl)methyl]-2-oxo-3H-imidazo[4,5-c]pyridin-6-yl]amino]propyl]carbamate;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 157223813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).