1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(1,2-dihydroxyethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyridinyl]-7-(4-ethyl-3-fluorophenyl)-1H-imidazo[4,5-b]pyridine;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;hydrochloride — IUPAC name, SMILES, InChIKey & properties

Name: 1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(1,2-dihydroxyethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyridinyl]-7-(4-ethyl-3-fluorophenyl)-1H-imidazo[4,5-b]pyridine;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;hydrochloride — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(1,2-dihydroxyethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyridinyl]-7-(4-ethyl-3-fluorophenyl)-1H-imidazo[4,5-b]pyridine;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;hydrochloride

1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(1,2-dihydroxyethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyridinyl]-7-(4-ethyl-3-fluorophenyl)-1H-imidazo[4,5-b]pyridine;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;hydrochloride (PubChem CID 159153508) has the molecular formula C81H83ClF3N17O11 and a molecular weight of 1563.11 g/mol. Its IUPAC name is 1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(1,2-dihydroxyethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyridinyl]-7-(4-ethyl-3-fluorophenyl)-1H-imidazo[4,5-b]pyridine;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;hydrochloride.

Molecular Properties

Compound Name	1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(1,2-dihydroxyethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyridinyl]-7-(4-ethyl-3-fluorophenyl)-1H-imidazo[4,5-b]pyridine;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;hydrochloride
PubChem CID	159153508
Molecular Formula	C81H83ClF3N17O11
Molecular Weight	1563.11 g/mol
Exact Mass	1561.61
IUPAC Name	1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(1,2-dihydroxyethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyridinyl]-7-(4-ethyl-3-fluorophenyl)-1H-imidazo[4,5-b]pyridine;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;hydrochloride
SMILES	CC(C)(C)c1nc(C(=O)CCc2ccc(-c3ccnc4nc(-c5ccc(C(O)CO)cn5)[nH]c34)cc2F)no1.CCOC(=O)c1noc(C(C)(C)C)n1.CCc1ccc(-c2ccnc3nc(-c4ccc(C5COC(C)(C)O5)cn4)[nH]c23)cc1F.Cl.NCc1ccc(-c2ccnc3nc(-c4ccc(C(O)CO)cn4)[nH]c23)cc1F
InChI	InChI=1S/C28H27FN6O4.C24H23FN4O2.C20H18FN5O2.C9H14N2O3.ClH/c1-28(2,3)27-34-25(35-39-27)21(37)9-7-15-4-5-16(12-19(15)29)18-10-11-30-26-23(18)32-24(33-26)20-8-6-17(13-31-20)22(38)14-36;1-4-14-5-6-15(11-18(14)25)17-9-10-26-23-21(17)28-22(29-23)19-8-7-16(12-27-19)20-13-30-24(2,3)31-20;21-15-7-11(1-2-12(15)8-22)14-5-6-23-20-18(14)25-19(26-20)16-4-3-13(9-24-16)17(28)10-27;1-5-13-7(12)6-10-8(14-11-6)9(2,3)4;/h4-6,8,10-13,22,36,38H,7,9,14H2,1-3H3,(H,30,32,33);5-12,20H,4,13H2,1-3H3,(H,26,28,29);1-7,9,17,27-28H,8,10,22H2,(H,23,25,26);5H2,1-4H3;1H
InChIKey	KNZFBYSJEKUQTA-UHFFFAOYSA-N
XLogP	13.84
TPSA	409.99 Å²
H-Bond Donors	8
H-Bond Acceptors	25
Rotatable Bonds	19
Heavy Atoms	113
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1563.11
LogP ≤ 5	13.84
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Analyze 1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(1,2-dihydroxyethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyridinyl]-7-(4-ethyl-3-fluorophenyl)-1H-imidazo[4,5-b]pyridine;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(1,2-dihydroxyethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyridinyl]-7-(4-ethyl-3-fluorophenyl)-1H-imidazo[4,5-b]pyridine;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;hydrochloride?

The IUPAC name of 1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(1,2-dihydroxyethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyridinyl]-7-(4-ethyl-3-fluorophenyl)-1H-imidazo[4,5-b]pyridine;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;hydrochloride (CID 159153508) is 1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(1,2-dihydroxyethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyridinyl]-7-(4-ethyl-3-fluorophenyl)-1H-imidazo[4,5-b]pyridine;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;hydrochloride.

What is the SMILES notation for 1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(1,2-dihydroxyethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyridinyl]-7-(4-ethyl-3-fluorophenyl)-1H-imidazo[4,5-b]pyridine;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;hydrochloride?

The canonical SMILES for 1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(1,2-dihydroxyethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyridinyl]-7-(4-ethyl-3-fluorophenyl)-1H-imidazo[4,5-b]pyridine;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;hydrochloride is CC(C)(C)c1nc(C(=O)CCc2ccc(-c3ccnc4nc(-c5ccc(C(O)CO)cn5)[nH]c34)cc2F)no1.CCOC(=O)c1noc(C(C)(C)C)n1.CCc1ccc(-c2ccnc3nc(-c4ccc(C5COC(C)(C)O5)cn4)[nH]c23)cc1F.Cl.NCc1ccc(-c2ccnc3nc(-c4ccc(C(O)CO)cn4)[nH]c23)cc1F.

What is the InChIKey of 1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(1,2-dihydroxyethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyridinyl]-7-(4-ethyl-3-fluorophenyl)-1H-imidazo[4,5-b]pyridine;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;hydrochloride?

The InChIKey is KNZFBYSJEKUQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN6O4.C24H23FN4O2.C20H18FN5O2.C9H14N2O3.ClH/c1-28(2,3)27-34-25(35-39-27)21(37)9-7-15-4-5-16(12-19(15)29)18-10-11-30-26-23(18)32-24(33-26)20-8-6-17(13-31-20)22(38)14-36;1-4-14-5-6-15(11-18(14)25)17-9-10-26-23-21(17)28-22(29-23)19-8-7-16(12-27-19)20-13-30-24(2,3)31-20;21-15-7-11(1-2-12(15)8-22)14-5-6-23-20-18(14)25-19(26-20)16-4-3-13(9-24-16)17(28)10-27;1-5-13-7(12)6-10-8(14-11-6)9(2,3)4;/h4-6,8,10-13,22,36,38H,7,9,14H2,1-3H3,(H,30,32,33);5-12,20H,4,13H2,1-3H3,(H,26,28,29);1-7,9,17,27-28H,8,10,22H2,(H,23,25,26);5H2,1-4H3;1H.

What are the key properties of 1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(1,2-dihydroxyethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyridinyl]-7-(4-ethyl-3-fluorophenyl)-1H-imidazo[4,5-b]pyridine;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;hydrochloride?

Where does this data come from?

All data for 1-[6-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]ethane-1,2-diol;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(1,2-dihydroxyethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;2-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pyridinyl]-7-(4-ethyl-3-fluorophenyl)-1H-imidazo[4,5-b]pyridine;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;hydrochloride is sourced from PubChem (CID 159153508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).