1-benzyl-4-methoxy-2-methylpyrrolo[2,3-b]pyridine;1-benzyl-2-methyl-7H-pyrrolo[2,3-b]pyridin-4-one;ethyl 2-azidoacetate;ethyl (Z)-2-azido-3-(4-methoxy-3-pyridinyl)prop-2-enoate;ethyl 2-(1-benzyl-2-methylpyrrolo[2,3-b]pyridin-4-yl)oxyacetate;ethyl 4-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;4-methoxy-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-methoxypyridine-3-carbaldehyde;(4-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol

C101H108N20O18 — CID 157225004

About 1-benzyl-4-methoxy-2-methylpyrrolo[2,3-b]pyridine;1-benzyl-2-methyl-7H-pyrrolo[2,3-b]pyridin-4-one;ethyl 2-azidoacetate;ethyl (Z)-2-azido-3-(4-methoxy-3-pyridinyl)prop-2-enoate;ethyl 2-(1-benzyl-2-methylpyrrolo[2,3-b]pyridin-4-yl)oxyacetate;ethyl 4-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;4-methoxy-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-methoxypyridine-3-carbaldehyde;(4-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol

1-benzyl-4-methoxy-2-methylpyrrolo[2,3-b]pyridine;1-benzyl-2-methyl-7H-pyrrolo[2,3-b]pyridin-4-one;ethyl 2-azidoacetate;ethyl (Z)-2-azido-3-(4-methoxy-3-pyridinyl)prop-2-enoate;ethyl 2-(1-benzyl-2-methylpyrrolo[2,3-b]pyridin-4-yl)oxyacetate;ethyl 4-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;4-methoxy-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-methoxypyridine-3-carbaldehyde;(4-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol (PubChem CID 157225004) has the molecular formula C101H108N20O18 and a molecular weight of 1890.10 g/mol. Its IUPAC name is 1-benzyl-4-methoxy-2-methylpyrrolo[2,3-b]pyridine;1-benzyl-2-methyl-7H-pyrrolo[2,3-b]pyridin-4-one;ethyl 2-azidoacetate;ethyl (Z)-2-azido-3-(4-methoxy-3-pyridinyl)prop-2-enoate;ethyl 2-(1-benzyl-2-methylpyrrolo[2,3-b]pyridin-4-yl)oxyacetate;ethyl 4-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;4-methoxy-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-methoxypyridine-3-carbaldehyde;(4-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol.

Molecular Properties

• Compound Name: 1-benzyl-4-methoxy-2-methylpyrrolo[2,3-b]pyridine;1-benzyl-2-methyl-7H-pyrrolo[2,3-b]pyridin-4-one;ethyl 2-azidoacetate;ethyl (Z)-2-azido-3-(4-methoxy-3-pyridinyl)prop-2-enoate;ethyl 2-(1-benzyl-2-methylpyrrolo[2,3-b]pyridin-4-yl)oxyacetate;ethyl 4-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;4-methoxy-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-methoxypyridine-3-carbaldehyde;(4-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol
• PubChem CID: 157225004
• Molecular Formula: C101H108N20O18
• Molecular Weight: 1890.10 g/mol
• Exact Mass: 1888.82
• IUPAC Name: 1-benzyl-4-methoxy-2-methylpyrrolo[2,3-b]pyridine;1-benzyl-2-methyl-7H-pyrrolo[2,3-b]pyridin-4-one;ethyl 2-azidoacetate;ethyl (Z)-2-azido-3-(4-methoxy-3-pyridinyl)prop-2-enoate;ethyl 2-(1-benzyl-2-methylpyrrolo[2,3-b]pyridin-4-yl)oxyacetate;ethyl 4-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;4-methoxy-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-methoxypyridine-3-carbaldehyde;(4-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol
• SMILES: CCOC(=O)/C(=C/c1cnccc1OC)N=[N+]=[N-].CCOC(=O)CN=[N+]=[N-].CCOC(=O)COc1ccnc2c1cc(C)n2Cc1ccccc1.CCOC(=O)c1cc2c(OC)ccnc2[nH]1.COc1ccnc2[nH]c(C)cc12.COc1ccnc2[nH]c(CO)cc12.COc1ccnc2c1cc(C)n2Cc1ccccc1.COc1ccncc1C=O.Cc1cc2c(=O)cc[nH]c2n1Cc1ccccc1
• InChI: InChI=1S/C19H20N2O3.C16H16N2O.C15H14N2O.C11H12N4O3.C11H12N2O3.C9H10N2O2.C9H10N2O.C7H7NO2.C4H7N3O2/c1-3-23-18(22)13-24-17-9-10-20-19-16(17)11-14(2)21(19)12-15-7-5-4-6-8-15;1-12-10-14-15(19-2)8-9-17-16(14)18(12)11-13-6-4-3-5-7-13;1-11-9-13-14(18)7-8-16-15(13)17(11)10-12-5-3-2-4-6-12;1-3-18-11(16)9(14-15-12)6-8-7-13-5-4-10(8)17-2;1-3-16-11(14)8-6-7-9(15-2)4-5-12-10(7)13-8;1-13-8-2-3-10-9-7(8)4-6(5-12)11-9;1-6-5-7-8(12-2)3-4-10-9(7)11-6;1-10-7-2-3-8-4-6(7)5-9;1-2-9-4(8)3-6-7-5/h4-11H,3,12-13H2,1-2H3;3-10H,11H2,1-2H3;2-9H,10H2,1H3,(H,16,18);4-7H,3H2,1-2H3;4-6H,3H2,1-2H3,(H,12,13);2-4,12H,5H2,1H3,(H,10,11);3-5H,1-2H3,(H,10,11);2-5H,1H3;2-3H2,1H3/b;;;9-6-
• InChIKey: ATKZZYPAUOJDQS-YZPXWWRGSA-N
• XLogP: 18.18
• TPSA: 489.88 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 27
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1890.10
LogP ≤ 5	18.18
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methoxy-2-methylpyrrolo[2,3-b]pyridine;1-benzyl-2-methyl-7H-pyrrolo[2,3-b]pyridin-4-one;ethyl 2-azidoacetate;ethyl (Z)-2-azido-3-(4-methoxy-3-pyridinyl)prop-2-enoate;ethyl 2-(1-benzyl-2-methylpyrrolo[2,3-b]pyridin-4-yl)oxyacetate;ethyl 4-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;4-methoxy-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-methoxypyridine-3-carbaldehyde;(4-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol?

The IUPAC name of 1-benzyl-4-methoxy-2-methylpyrrolo[2,3-b]pyridine;1-benzyl-2-methyl-7H-pyrrolo[2,3-b]pyridin-4-one;ethyl 2-azidoacetate;ethyl (Z)-2-azido-3-(4-methoxy-3-pyridinyl)prop-2-enoate;ethyl 2-(1-benzyl-2-methylpyrrolo[2,3-b]pyridin-4-yl)oxyacetate;ethyl 4-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;4-methoxy-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-methoxypyridine-3-carbaldehyde;(4-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol (CID 157225004) is 1-benzyl-4-methoxy-2-methylpyrrolo[2,3-b]pyridine;1-benzyl-2-methyl-7H-pyrrolo[2,3-b]pyridin-4-one;ethyl 2-azidoacetate;ethyl (Z)-2-azido-3-(4-methoxy-3-pyridinyl)prop-2-enoate;ethyl 2-(1-benzyl-2-methylpyrrolo[2,3-b]pyridin-4-yl)oxyacetate;ethyl 4-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;4-methoxy-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-methoxypyridine-3-carbaldehyde;(4-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol.

What is the SMILES notation for 1-benzyl-4-methoxy-2-methylpyrrolo[2,3-b]pyridine;1-benzyl-2-methyl-7H-pyrrolo[2,3-b]pyridin-4-one;ethyl 2-azidoacetate;ethyl (Z)-2-azido-3-(4-methoxy-3-pyridinyl)prop-2-enoate;ethyl 2-(1-benzyl-2-methylpyrrolo[2,3-b]pyridin-4-yl)oxyacetate;ethyl 4-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;4-methoxy-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-methoxypyridine-3-carbaldehyde;(4-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol?

The canonical SMILES for 1-benzyl-4-methoxy-2-methylpyrrolo[2,3-b]pyridine;1-benzyl-2-methyl-7H-pyrrolo[2,3-b]pyridin-4-one;ethyl 2-azidoacetate;ethyl (Z)-2-azido-3-(4-methoxy-3-pyridinyl)prop-2-enoate;ethyl 2-(1-benzyl-2-methylpyrrolo[2,3-b]pyridin-4-yl)oxyacetate;ethyl 4-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;4-methoxy-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-methoxypyridine-3-carbaldehyde;(4-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol is CCOC(=O)/C(=C/c1cnccc1OC)N=[N+]=[N-].CCOC(=O)CN=[N+]=[N-].CCOC(=O)COc1ccnc2c1cc(C)n2Cc1ccccc1.CCOC(=O)c1cc2c(OC)ccnc2[nH]1.COc1ccnc2[nH]c(C)cc12.COc1ccnc2[nH]c(CO)cc12.COc1ccnc2c1cc(C)n2Cc1ccccc1.COc1ccncc1C=O.Cc1cc2c(=O)cc[nH]c2n1Cc1ccccc1.

What is the InChIKey of 1-benzyl-4-methoxy-2-methylpyrrolo[2,3-b]pyridine;1-benzyl-2-methyl-7H-pyrrolo[2,3-b]pyridin-4-one;ethyl 2-azidoacetate;ethyl (Z)-2-azido-3-(4-methoxy-3-pyridinyl)prop-2-enoate;ethyl 2-(1-benzyl-2-methylpyrrolo[2,3-b]pyridin-4-yl)oxyacetate;ethyl 4-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;4-methoxy-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-methoxypyridine-3-carbaldehyde;(4-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol?

The InChIKey is ATKZZYPAUOJDQS-YZPXWWRGSA-N. The full InChI is InChI=1S/C19H20N2O3.C16H16N2O.C15H14N2O.C11H12N4O3.C11H12N2O3.C9H10N2O2.C9H10N2O.C7H7NO2.C4H7N3O2/c1-3-23-18(22)13-24-17-9-10-20-19-16(17)11-14(2)21(19)12-15-7-5-4-6-8-15;1-12-10-14-15(19-2)8-9-17-16(14)18(12)11-13-6-4-3-5-7-13;1-11-9-13-14(18)7-8-16-15(13)17(11)10-12-5-3-2-4-6-12;1-3-18-11(16)9(14-15-12)6-8-7-13-5-4-10(8)17-2;1-3-16-11(14)8-6-7-9(15-2)4-5-12-10(7)13-8;1-13-8-2-3-10-9-7(8)4-6(5-12)11-9;1-6-5-7-8(12-2)3-4-10-9(7)11-6;1-10-7-2-3-8-4-6(7)5-9;1-2-9-4(8)3-6-7-5/h4-11H,3,12-13H2,1-2H3;3-10H,11H2,1-2H3;2-9H,10H2,1H3,(H,16,18);4-7H,3H2,1-2H3;4-6H,3H2,1-2H3,(H,12,13);2-4,12H,5H2,1H3,(H,10,11);3-5H,1-2H3,(H,10,11);2-5H,1H3;2-3H2,1H3/b;;;9-6-;;;;;.

What are the key properties of 1-benzyl-4-methoxy-2-methylpyrrolo[2,3-b]pyridine;1-benzyl-2-methyl-7H-pyrrolo[2,3-b]pyridin-4-one;ethyl 2-azidoacetate;ethyl (Z)-2-azido-3-(4-methoxy-3-pyridinyl)prop-2-enoate;ethyl 2-(1-benzyl-2-methylpyrrolo[2,3-b]pyridin-4-yl)oxyacetate;ethyl 4-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;4-methoxy-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-methoxypyridine-3-carbaldehyde;(4-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol?

1-benzyl-4-methoxy-2-methylpyrrolo[2,3-b]pyridine;1-benzyl-2-methyl-7H-pyrrolo[2,3-b]pyridin-4-one;ethyl 2-azidoacetate;ethyl (Z)-2-azido-3-(4-methoxy-3-pyridinyl)prop-2-enoate;ethyl 2-(1-benzyl-2-methylpyrrolo[2,3-b]pyridin-4-yl)oxyacetate;ethyl 4-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;4-methoxy-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-methoxypyridine-3-carbaldehyde;(4-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol has a molecular weight of 1890.10 g/mol, XLogP of 18.18, 27 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-4-methoxy-2-methylpyrrolo[2,3-b]pyridine;1-benzyl-2-methyl-7H-pyrrolo[2,3-b]pyridin-4-one;ethyl 2-azidoacetate;ethyl (Z)-2-azido-3-(4-methoxy-3-pyridinyl)prop-2-enoate;ethyl 2-(1-benzyl-2-methylpyrrolo[2,3-b]pyridin-4-yl)oxyacetate;ethyl 4-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;4-methoxy-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-methoxypyridine-3-carbaldehyde;(4-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)methanol is sourced from PubChem (CID 157225004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).