11-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;deuterio(iodo)methane;dichloro(methyl)stannane;3-(hydroxymethyl)-5H-imidazo[1,2-a][1,8]naphthyridin-6-one;3-(hydroxymethyl)-5H-imidazo[1,5-a][1,8]naphthyridin-6-one;methyl 5-amino-6-imidazol-1-ylpyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-oxo-5H-imidazo[1,2-a][1,8]naphthyridine-3-carboxylate;methyl 6-oxo-5H-imidazo[1,5-a][1,8]naphthyridine-3-carboxylate

C86H76Cl4IN23O17Sn — CID 157134816

About 11-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;deuterio(iodo)methane;dichloro(methyl)stannane;3-(hydroxymethyl)-5H-imidazo[1,2-a][1,8]naphthyridin-6-one;3-(hydroxymethyl)-5H-imidazo[1,5-a][1,8]naphthyridin-6-one;methyl 5-amino-6-imidazol-1-ylpyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-oxo-5H-imidazo[1,2-a][1,8]naphthyridine-3-carboxylate;methyl 6-oxo-5H-imidazo[1,5-a][1,8]naphthyridine-3-carboxylate

11-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;deuterio(iodo)methane;dichloro(methyl)stannane;3-(hydroxymethyl)-5H-imidazo[1,2-a][1,8]naphthyridin-6-one;3-(hydroxymethyl)-5H-imidazo[1,5-a][1,8]naphthyridin-6-one;methyl 5-amino-6-imidazol-1-ylpyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-oxo-5H-imidazo[1,2-a][1,8]naphthyridine-3-carboxylate;methyl 6-oxo-5H-imidazo[1,5-a][1,8]naphthyridine-3-carboxylate (PubChem CID 157134816) has the molecular formula C86H76Cl4IN23O17Sn and a molecular weight of 2092.13 g/mol. Its IUPAC name is 11-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;deuterio(iodo)methane;dichloro(methyl)stannane;3-(hydroxymethyl)-5H-imidazo[1,2-a][1,8]naphthyridin-6-one;3-(hydroxymethyl)-5H-imidazo[1,5-a][1,8]naphthyridin-6-one;methyl 5-amino-6-imidazol-1-ylpyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-oxo-5H-imidazo[1,2-a][1,8]naphthyridine-3-carboxylate;methyl 6-oxo-5H-imidazo[1,5-a][1,8]naphthyridine-3-carboxylate.

Molecular Properties

• Compound Name: 11-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;deuterio(iodo)methane;dichloro(methyl)stannane;3-(hydroxymethyl)-5H-imidazo[1,2-a][1,8]naphthyridin-6-one;3-(hydroxymethyl)-5H-imidazo[1,5-a][1,8]naphthyridin-6-one;methyl 5-amino-6-imidazol-1-ylpyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-oxo-5H-imidazo[1,2-a][1,8]naphthyridine-3-carboxylate;methyl 6-oxo-5H-imidazo[1,5-a][1,8]naphthyridine-3-carboxylate
• PubChem CID: 157134816
• Molecular Formula: C86H76Cl4IN23O17Sn
• Molecular Weight: 2092.13 g/mol
• Exact Mass: 2090.27
• IUPAC Name: 11-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;deuterio(iodo)methane;dichloro(methyl)stannane;3-(hydroxymethyl)-5H-imidazo[1,2-a][1,8]naphthyridin-6-one;3-(hydroxymethyl)-5H-imidazo[1,5-a][1,8]naphthyridin-6-one;methyl 5-amino-6-imidazol-1-ylpyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-oxo-5H-imidazo[1,2-a][1,8]naphthyridine-3-carboxylate;methyl 6-oxo-5H-imidazo[1,5-a][1,8]naphthyridine-3-carboxylate
• SMILES: COC(=O)c1cnc(-n2ccnc2)c(N)c1.COC(=O)c1cnc(Cl)c([N+](=O)[O-])c1.COC(=O)c1cnc2c(c1)CC(=O)c1cncn1-2.COC(=O)c1cnc2c(c1)CC(=O)c1nccn1-2.C[SnH](Cl)Cl.O=C1Cc2cc(CO)cnc2-n2ccnc21.O=C1Cc2cc(CO)cnc2-n2cncc21.O=c1[nH]c2cc(CN3CC=C(c4ccc(Cl)cc4)CC3)cnc2n2ccnc12.[2H]CI
• InChI: InChI=1S/C21H18ClN5O.2C12H9N3O3.2C11H9N3O2.C10H10N4O2.C7H5ClN2O4.CH3I.CH3.2ClH.Sn.H/c22-17-3-1-15(2-4-17)16-5-8-26(9-6-16)13-14-11-18-19(24-12-14)27-10-7-23-20(27)21(28)25-18;1-18-12(17)8-2-7-3-10(16)9-5-13-6-15(9)11(7)14-4-8;1-18-12(17)8-4-7-5-9(16)11-13-2-3-15(11)10(7)14-6-8;15-5-7-1-8-2-10(16)9-4-12-6-14(9)11(8)13-3-7;15-6-7-3-8-4-9(16)11-12-1-2-14(11)10(8)13-5-7;1-16-10(15)7-4-8(11)9(13-5-7)14-3-2-12-6-14;1-14-7(11)4-2-5(10(12)13)6(8)9-3-4;1-2;;;;;/h1-5,7,10-12H,6,8-9,13H2,(H,25,28);2,4-6H,3H2,1H3;2-4,6H,5H2,1H3;1,3-4,6,15H,2,5H2;1-3,5,15H,4,6H2;2-6H,11H2,1H3;2-3H,1H3;1H3;1H3;2*1H;;/q;;;;;;;;;;;+2;/p-2/i;;;;;;;1D
• InChIKey: AJMQDYNACABETF-NUBAMQIGSA-L
• XLogP: 10.53
• TPSA: 515.83 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 38
• Rotatable Bonds: 11
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2092.13
LogP ≤ 5	10.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;deuterio(iodo)methane;dichloro(methyl)stannane;3-(hydroxymethyl)-5H-imidazo[1,2-a][1,8]naphthyridin-6-one;3-(hydroxymethyl)-5H-imidazo[1,5-a][1,8]naphthyridin-6-one;methyl 5-amino-6-imidazol-1-ylpyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-oxo-5H-imidazo[1,2-a][1,8]naphthyridine-3-carboxylate;methyl 6-oxo-5H-imidazo[1,5-a][1,8]naphthyridine-3-carboxylate?

The IUPAC name of 11-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;deuterio(iodo)methane;dichloro(methyl)stannane;3-(hydroxymethyl)-5H-imidazo[1,2-a][1,8]naphthyridin-6-one;3-(hydroxymethyl)-5H-imidazo[1,5-a][1,8]naphthyridin-6-one;methyl 5-amino-6-imidazol-1-ylpyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-oxo-5H-imidazo[1,2-a][1,8]naphthyridine-3-carboxylate;methyl 6-oxo-5H-imidazo[1,5-a][1,8]naphthyridine-3-carboxylate (CID 157134816) is 11-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;deuterio(iodo)methane;dichloro(methyl)stannane;3-(hydroxymethyl)-5H-imidazo[1,2-a][1,8]naphthyridin-6-one;3-(hydroxymethyl)-5H-imidazo[1,5-a][1,8]naphthyridin-6-one;methyl 5-amino-6-imidazol-1-ylpyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-oxo-5H-imidazo[1,2-a][1,8]naphthyridine-3-carboxylate;methyl 6-oxo-5H-imidazo[1,5-a][1,8]naphthyridine-3-carboxylate.

What is the SMILES notation for 11-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;deuterio(iodo)methane;dichloro(methyl)stannane;3-(hydroxymethyl)-5H-imidazo[1,2-a][1,8]naphthyridin-6-one;3-(hydroxymethyl)-5H-imidazo[1,5-a][1,8]naphthyridin-6-one;methyl 5-amino-6-imidazol-1-ylpyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-oxo-5H-imidazo[1,2-a][1,8]naphthyridine-3-carboxylate;methyl 6-oxo-5H-imidazo[1,5-a][1,8]naphthyridine-3-carboxylate?

The canonical SMILES for 11-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;deuterio(iodo)methane;dichloro(methyl)stannane;3-(hydroxymethyl)-5H-imidazo[1,2-a][1,8]naphthyridin-6-one;3-(hydroxymethyl)-5H-imidazo[1,5-a][1,8]naphthyridin-6-one;methyl 5-amino-6-imidazol-1-ylpyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-oxo-5H-imidazo[1,2-a][1,8]naphthyridine-3-carboxylate;methyl 6-oxo-5H-imidazo[1,5-a][1,8]naphthyridine-3-carboxylate is COC(=O)c1cnc(-n2ccnc2)c(N)c1.COC(=O)c1cnc(Cl)c([N+](=O)[O-])c1.COC(=O)c1cnc2c(c1)CC(=O)c1cncn1-2.COC(=O)c1cnc2c(c1)CC(=O)c1nccn1-2.C[SnH](Cl)Cl.O=C1Cc2cc(CO)cnc2-n2ccnc21.O=C1Cc2cc(CO)cnc2-n2cncc21.O=c1[nH]c2cc(CN3CC=C(c4ccc(Cl)cc4)CC3)cnc2n2ccnc12.[2H]CI.

What is the InChIKey of 11-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;deuterio(iodo)methane;dichloro(methyl)stannane;3-(hydroxymethyl)-5H-imidazo[1,2-a][1,8]naphthyridin-6-one;3-(hydroxymethyl)-5H-imidazo[1,5-a][1,8]naphthyridin-6-one;methyl 5-amino-6-imidazol-1-ylpyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-oxo-5H-imidazo[1,2-a][1,8]naphthyridine-3-carboxylate;methyl 6-oxo-5H-imidazo[1,5-a][1,8]naphthyridine-3-carboxylate?

The InChIKey is AJMQDYNACABETF-NUBAMQIGSA-L. The full InChI is InChI=1S/C21H18ClN5O.2C12H9N3O3.2C11H9N3O2.C10H10N4O2.C7H5ClN2O4.CH3I.CH3.2ClH.Sn.H/c22-17-3-1-15(2-4-17)16-5-8-26(9-6-16)13-14-11-18-19(24-12-14)27-10-7-23-20(27)21(28)25-18;1-18-12(17)8-2-7-3-10(16)9-5-13-6-15(9)11(7)14-4-8;1-18-12(17)8-4-7-5-9(16)11-13-2-3-15(11)10(7)14-6-8;15-5-7-1-8-2-10(16)9-4-12-6-14(9)11(8)13-3-7;15-6-7-3-8-4-9(16)11-12-1-2-14(11)10(8)13-5-7;1-16-10(15)7-4-8(11)9(13-5-7)14-3-2-12-6-14;1-14-7(11)4-2-5(10(12)13)6(8)9-3-4;1-2;;;;;/h1-5,7,10-12H,6,8-9,13H2,(H,25,28);2,4-6H,3H2,1H3;2-4,6H,5H2,1H3;1,3-4,6,15H,2,5H2;1-3,5,15H,4,6H2;2-6H,11H2,1H3;2-3H,1H3;1H3;1H3;2*1H;;/q;;;;;;;;;;;+2;/p-2/i;;;;;;;1D;;;;;.

What are the key properties of 11-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;deuterio(iodo)methane;dichloro(methyl)stannane;3-(hydroxymethyl)-5H-imidazo[1,2-a][1,8]naphthyridin-6-one;3-(hydroxymethyl)-5H-imidazo[1,5-a][1,8]naphthyridin-6-one;methyl 5-amino-6-imidazol-1-ylpyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-oxo-5H-imidazo[1,2-a][1,8]naphthyridine-3-carboxylate;methyl 6-oxo-5H-imidazo[1,5-a][1,8]naphthyridine-3-carboxylate?

11-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;deuterio(iodo)methane;dichloro(methyl)stannane;3-(hydroxymethyl)-5H-imidazo[1,2-a][1,8]naphthyridin-6-one;3-(hydroxymethyl)-5H-imidazo[1,5-a][1,8]naphthyridin-6-one;methyl 5-amino-6-imidazol-1-ylpyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-oxo-5H-imidazo[1,2-a][1,8]naphthyridine-3-carboxylate;methyl 6-oxo-5H-imidazo[1,5-a][1,8]naphthyridine-3-carboxylate has a molecular weight of 2092.13 g/mol, XLogP of 10.53, 11 rotatable bonds, 4 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2,5,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one;deuterio(iodo)methane;dichloro(methyl)stannane;3-(hydroxymethyl)-5H-imidazo[1,2-a][1,8]naphthyridin-6-one;3-(hydroxymethyl)-5H-imidazo[1,5-a][1,8]naphthyridin-6-one;methyl 5-amino-6-imidazol-1-ylpyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-oxo-5H-imidazo[1,2-a][1,8]naphthyridine-3-carboxylate;methyl 6-oxo-5H-imidazo[1,5-a][1,8]naphthyridine-3-carboxylate is sourced from PubChem (CID 157134816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).