[4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-morpholin-4-ylmethanone;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[2-(hydroxymethyl)-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]ethanone;8-(2,3-diamino-4-pyridinyl)-1,4-dihydroisochromen-3-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(morpholine-4-carbonyl)benzaldehyde;8-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydroisochromen-3-one

C117H117N21O20 — CID 161305948

About [4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-morpholin-4-ylmethanone;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[2-(hydroxymethyl)-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]ethanone;8-(2,3-diamino-4-pyridinyl)-1,4-dihydroisochromen-3-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(morpholine-4-carbonyl)benzaldehyde;8-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydroisochromen-3-one

[4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-morpholin-4-ylmethanone;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[2-(hydroxymethyl)-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]ethanone;8-(2,3-diamino-4-pyridinyl)-1,4-dihydroisochromen-3-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(morpholine-4-carbonyl)benzaldehyde;8-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydroisochromen-3-one (PubChem CID 161305948) has the molecular formula C117H117N21O20 and a molecular weight of 2137.35 g/mol. Its IUPAC name is [4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-morpholin-4-ylmethanone;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[2-(hydroxymethyl)-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]ethanone;8-(2,3-diamino-4-pyridinyl)-1,4-dihydroisochromen-3-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(morpholine-4-carbonyl)benzaldehyde;8-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydroisochromen-3-one.

Molecular Properties

• Compound Name: [4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-morpholin-4-ylmethanone;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[2-(hydroxymethyl)-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]ethanone;8-(2,3-diamino-4-pyridinyl)-1,4-dihydroisochromen-3-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(morpholine-4-carbonyl)benzaldehyde;8-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydroisochromen-3-one
• PubChem CID: 161305948
• Molecular Formula: C117H117N21O20
• Molecular Weight: 2137.35 g/mol
• Exact Mass: 2135.88
• IUPAC Name: [4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-morpholin-4-ylmethanone;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[2-(hydroxymethyl)-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]ethanone;8-(2,3-diamino-4-pyridinyl)-1,4-dihydroisochromen-3-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(morpholine-4-carbonyl)benzaldehyde;8-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydroisochromen-3-one
• SMILES: CC(C)(C)c1nc(C(=O)Cc2cccc(-c3ccnc4nc(-c5ccc(C(=O)N6CCOCC6)cc5)[nH]c34)c2CO)no1.CCOC(=O)c1noc(C(C)(C)C)n1.Nc1cccc(-c2ccnc3nc(-c4ccc(C(=O)N5CCOCC5)cc4)[nH]c23)c1CO.Nc1nccc(-c2cccc3c2COC(=O)C3)c1N.O=C1Cc2cccc(-c3ccnc4nc(-c5ccc(C(=O)N6CCOCC6)cc5)[nH]c34)c2CO1.O=Cc1ccc(C(=O)N2CCOCC2)cc1
• InChI: InChI=1S/C32H32N6O5.C26H22N4O4.C24H23N5O3.C14H13N3O2.C12H13NO3.C9H14N2O3/c1-32(2,3)31-36-28(37-43-31)25(40)17-21-5-4-6-22(24(21)18-39)23-11-12-33-29-26(23)34-27(35-29)19-7-9-20(10-8-19)30(41)38-13-15-42-16-14-38;31-22-14-18-2-1-3-19(21(18)15-34-22)20-8-9-27-25-23(20)28-24(29-25)16-4-6-17(7-5-16)26(32)30-10-12-33-13-11-30;25-20-3-1-2-17(19(20)14-30)18-8-9-26-23-21(18)27-22(28-23)15-4-6-16(7-5-15)24(31)29-10-12-32-13-11-29;15-13-10(4-5-17-14(13)16)9-3-1-2-8-6-12(18)19-7-11(8)9;14-9-10-1-3-11(4-2-10)12(15)13-5-7-16-8-6-13;1-5-13-7(12)6-10-8(14-11-6)9(2,3)4/h4-12,39H,13-18H2,1-3H3,(H,33,34,35);1-9H,10-15H2,(H,27,28,29);1-9,30H,10-14,25H2,(H,26,27,28);1-5H,6-7,15H2,(H2,16,17);1-4,9H,5-8H2;5H2,1-4H3
• InChIKey: VIGAHOSXZIWWOC-UHFFFAOYSA-N
• XLogP: 14.59
• TPSA: 565.16 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 19
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2137.35
LogP ≤ 5	14.59
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-morpholin-4-ylmethanone;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[2-(hydroxymethyl)-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]ethanone;8-(2,3-diamino-4-pyridinyl)-1,4-dihydroisochromen-3-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(morpholine-4-carbonyl)benzaldehyde;8-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydroisochromen-3-one?

The IUPAC name of [4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-morpholin-4-ylmethanone;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[2-(hydroxymethyl)-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]ethanone;8-(2,3-diamino-4-pyridinyl)-1,4-dihydroisochromen-3-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(morpholine-4-carbonyl)benzaldehyde;8-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydroisochromen-3-one (CID 161305948) is [4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-morpholin-4-ylmethanone;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[2-(hydroxymethyl)-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]ethanone;8-(2,3-diamino-4-pyridinyl)-1,4-dihydroisochromen-3-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(morpholine-4-carbonyl)benzaldehyde;8-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydroisochromen-3-one.

What is the SMILES notation for [4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-morpholin-4-ylmethanone;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[2-(hydroxymethyl)-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]ethanone;8-(2,3-diamino-4-pyridinyl)-1,4-dihydroisochromen-3-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(morpholine-4-carbonyl)benzaldehyde;8-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydroisochromen-3-one?

The canonical SMILES for [4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-morpholin-4-ylmethanone;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[2-(hydroxymethyl)-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]ethanone;8-(2,3-diamino-4-pyridinyl)-1,4-dihydroisochromen-3-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(morpholine-4-carbonyl)benzaldehyde;8-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydroisochromen-3-one is CC(C)(C)c1nc(C(=O)Cc2cccc(-c3ccnc4nc(-c5ccc(C(=O)N6CCOCC6)cc5)[nH]c34)c2CO)no1.CCOC(=O)c1noc(C(C)(C)C)n1.Nc1cccc(-c2ccnc3nc(-c4ccc(C(=O)N5CCOCC5)cc4)[nH]c23)c1CO.Nc1nccc(-c2cccc3c2COC(=O)C3)c1N.O=C1Cc2cccc(-c3ccnc4nc(-c5ccc(C(=O)N6CCOCC6)cc5)[nH]c34)c2CO1.O=Cc1ccc(C(=O)N2CCOCC2)cc1.

What is the InChIKey of [4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-morpholin-4-ylmethanone;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[2-(hydroxymethyl)-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]ethanone;8-(2,3-diamino-4-pyridinyl)-1,4-dihydroisochromen-3-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(morpholine-4-carbonyl)benzaldehyde;8-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydroisochromen-3-one?

The InChIKey is VIGAHOSXZIWWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N6O5.C26H22N4O4.C24H23N5O3.C14H13N3O2.C12H13NO3.C9H14N2O3/c1-32(2,3)31-36-28(37-43-31)25(40)17-21-5-4-6-22(24(21)18-39)23-11-12-33-29-26(23)34-27(35-29)19-7-9-20(10-8-19)30(41)38-13-15-42-16-14-38;31-22-14-18-2-1-3-19(21(18)15-34-22)20-8-9-27-25-23(20)28-24(29-25)16-4-6-17(7-5-16)26(32)30-10-12-33-13-11-30;25-20-3-1-2-17(19(20)14-30)18-8-9-26-23-21(18)27-22(28-23)15-4-6-16(7-5-15)24(31)29-10-12-32-13-11-29;15-13-10(4-5-17-14(13)16)9-3-1-2-8-6-12(18)19-7-11(8)9;14-9-10-1-3-11(4-2-10)12(15)13-5-7-16-8-6-13;1-5-13-7(12)6-10-8(14-11-6)9(2,3)4/h4-12,39H,13-18H2,1-3H3,(H,33,34,35);1-9H,10-15H2,(H,27,28,29);1-9,30H,10-14,25H2,(H,26,27,28);1-5H,6-7,15H2,(H2,16,17);1-4,9H,5-8H2;5H2,1-4H3.

What are the key properties of [4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-morpholin-4-ylmethanone;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[2-(hydroxymethyl)-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]ethanone;8-(2,3-diamino-4-pyridinyl)-1,4-dihydroisochromen-3-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(morpholine-4-carbonyl)benzaldehyde;8-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydroisochromen-3-one?

[4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-morpholin-4-ylmethanone;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[2-(hydroxymethyl)-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]ethanone;8-(2,3-diamino-4-pyridinyl)-1,4-dihydroisochromen-3-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(morpholine-4-carbonyl)benzaldehyde;8-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydroisochromen-3-one has a molecular weight of 2137.35 g/mol, XLogP of 14.59, 19 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-morpholin-4-ylmethanone;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[2-(hydroxymethyl)-3-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]ethanone;8-(2,3-diamino-4-pyridinyl)-1,4-dihydroisochromen-3-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-(morpholine-4-carbonyl)benzaldehyde;8-[2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydroisochromen-3-one is sourced from PubChem (CID 161305948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).