[2-amino-6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol;cyclopropanecarbonyl chloride;5-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide;ethyl 2-amino-2-hydroxyiminoacetate;bis(ethyl 5-cyclopropyl-1,2,4-oxadiazole-3-carboxylate)

C64H69ClN20O14 — CID 160776714

About [2-amino-6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol;cyclopropanecarbonyl chloride;5-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide;ethyl 2-amino-2-hydroxyiminoacetate;bis(ethyl 5-cyclopropyl-1,2,4-oxadiazole-3-carboxylate)

[2-amino-6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol;cyclopropanecarbonyl chloride;5-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide;ethyl 2-amino-2-hydroxyiminoacetate;bis(ethyl 5-cyclopropyl-1,2,4-oxadiazole-3-carboxylate) (PubChem CID 160776714) has the molecular formula C64H69ClN20O14 and a molecular weight of 1377.83 g/mol. Its IUPAC name is [2-amino-6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol;cyclopropanecarbonyl chloride;5-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide;ethyl 2-amino-2-hydroxyiminoacetate;bis(ethyl 5-cyclopropyl-1,2,4-oxadiazole-3-carboxylate).

Molecular Properties

• Compound Name: [2-amino-6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol;cyclopropanecarbonyl chloride;5-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide;ethyl 2-amino-2-hydroxyiminoacetate;bis(ethyl 5-cyclopropyl-1,2,4-oxadiazole-3-carboxylate)
• PubChem CID: 160776714
• Molecular Formula: C64H69ClN20O14
• Molecular Weight: 1377.83 g/mol
• Exact Mass: 1376.50
• IUPAC Name: [2-amino-6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol;cyclopropanecarbonyl chloride;5-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide;ethyl 2-amino-2-hydroxyiminoacetate;bis(ethyl 5-cyclopropyl-1,2,4-oxadiazole-3-carboxylate)
• SMILES: CCOC(=O)C(N)=NO.CCOC(=O)c1noc(C2CC2)n1.CCOC(=O)c1noc(C2CC2)n1.Cn1cc(-c2nc3nccc(-c4cccc(N)c4CO)c3[nH]2)cn1.Cn1cc(-c2nc3nccc(-c4cccc(NC(=O)c5noc(C6CC6)n5)c4CO)c3[nH]2)cn1.O=C(Cl)C1CC1
• InChI: InChI=1S/C23H20N8O3.C17H16N6O.2C8H10N2O3.C4H5ClO.C4H8N2O3/c1-31-10-13(9-25-31)19-27-18-15(7-8-24-20(18)28-19)14-3-2-4-17(16(14)11-32)26-22(33)21-29-23(34-30-21)12-5-6-12;1-23-8-10(7-20-23)16-21-15-12(5-6-19-17(15)22-16)11-3-2-4-14(18)13(11)9-24;2*1-2-12-8(11)6-9-7(13-10-6)5-3-4-5;5-4(6)3-1-2-3;1-2-9-4(7)3(5)6-8/h2-4,7-10,12,32H,5-6,11H2,1H3,(H,26,33)(H,24,27,28);2-8,24H,9,18H2,1H3,(H,19,21,22);2*5H,2-4H2,1H3;3H,1-2H2;8H,2H2,1H3,(H2,5,6)
• InChIKey: SAAPRMOLKJVRFN-UHFFFAOYSA-N
• XLogP: 7.84
• TPSA: 485.70 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 17
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1377.83
LogP ≤ 5	7.84
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-amino-6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol;cyclopropanecarbonyl chloride;5-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide;ethyl 2-amino-2-hydroxyiminoacetate;bis(ethyl 5-cyclopropyl-1,2,4-oxadiazole-3-carboxylate)?

The IUPAC name of [2-amino-6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol;cyclopropanecarbonyl chloride;5-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide;ethyl 2-amino-2-hydroxyiminoacetate;bis(ethyl 5-cyclopropyl-1,2,4-oxadiazole-3-carboxylate) (CID 160776714) is [2-amino-6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol;cyclopropanecarbonyl chloride;5-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide;ethyl 2-amino-2-hydroxyiminoacetate;bis(ethyl 5-cyclopropyl-1,2,4-oxadiazole-3-carboxylate).

What is the SMILES notation for [2-amino-6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol;cyclopropanecarbonyl chloride;5-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide;ethyl 2-amino-2-hydroxyiminoacetate;bis(ethyl 5-cyclopropyl-1,2,4-oxadiazole-3-carboxylate)?

The canonical SMILES for [2-amino-6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol;cyclopropanecarbonyl chloride;5-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide;ethyl 2-amino-2-hydroxyiminoacetate;bis(ethyl 5-cyclopropyl-1,2,4-oxadiazole-3-carboxylate) is CCOC(=O)C(N)=NO.CCOC(=O)c1noc(C2CC2)n1.CCOC(=O)c1noc(C2CC2)n1.Cn1cc(-c2nc3nccc(-c4cccc(N)c4CO)c3[nH]2)cn1.Cn1cc(-c2nc3nccc(-c4cccc(NC(=O)c5noc(C6CC6)n5)c4CO)c3[nH]2)cn1.O=C(Cl)C1CC1.

What is the InChIKey of [2-amino-6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol;cyclopropanecarbonyl chloride;5-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide;ethyl 2-amino-2-hydroxyiminoacetate;bis(ethyl 5-cyclopropyl-1,2,4-oxadiazole-3-carboxylate)?

The InChIKey is SAAPRMOLKJVRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8O3.C17H16N6O.2C8H10N2O3.C4H5ClO.C4H8N2O3/c1-31-10-13(9-25-31)19-27-18-15(7-8-24-20(18)28-19)14-3-2-4-17(16(14)11-32)26-22(33)21-29-23(34-30-21)12-5-6-12;1-23-8-10(7-20-23)16-21-15-12(5-6-19-17(15)22-16)11-3-2-4-14(18)13(11)9-24;2*1-2-12-8(11)6-9-7(13-10-6)5-3-4-5;5-4(6)3-1-2-3;1-2-9-4(7)3(5)6-8/h2-4,7-10,12,32H,5-6,11H2,1H3,(H,26,33)(H,24,27,28);2-8,24H,9,18H2,1H3,(H,19,21,22);2*5H,2-4H2,1H3;3H,1-2H2;8H,2H2,1H3,(H2,5,6).

What are the key properties of [2-amino-6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol;cyclopropanecarbonyl chloride;5-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide;ethyl 2-amino-2-hydroxyiminoacetate;bis(ethyl 5-cyclopropyl-1,2,4-oxadiazole-3-carboxylate)?

[2-amino-6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol;cyclopropanecarbonyl chloride;5-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide;ethyl 2-amino-2-hydroxyiminoacetate;bis(ethyl 5-cyclopropyl-1,2,4-oxadiazole-3-carboxylate) has a molecular weight of 1377.83 g/mol, XLogP of 7.84, 17 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for [2-amino-6-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol;cyclopropanecarbonyl chloride;5-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide;ethyl 2-amino-2-hydroxyiminoacetate;bis(ethyl 5-cyclopropyl-1,2,4-oxadiazole-3-carboxylate) is sourced from PubChem (CID 160776714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).