2-[4-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]ethanol;2-bromoethanol;tert-butyl N-[[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]carbamate;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;1-(2-hydroxyethyl)pyrazole-4-carbaldehyde;1H-pyrazole-4-carbaldehyde;hydrochloride

C99H110BrClF4N28O14 — CID 157441435

About 2-[4-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]ethanol;2-bromoethanol;tert-butyl N-[[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]carbamate;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;1-(2-hydroxyethyl)pyrazole-4-carbaldehyde;1H-pyrazole-4-carbaldehyde;hydrochloride

2-[4-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]ethanol;2-bromoethanol;tert-butyl N-[[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]carbamate;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;1-(2-hydroxyethyl)pyrazole-4-carbaldehyde;1H-pyrazole-4-carbaldehyde;hydrochloride (PubChem CID 157441435) has the molecular formula C99H110BrClF4N28O14 and a molecular weight of 2107.50 g/mol. Its IUPAC name is 2-[4-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]ethanol;2-bromoethanol;tert-butyl N-[[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]carbamate;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;1-(2-hydroxyethyl)pyrazole-4-carbaldehyde;1H-pyrazole-4-carbaldehyde;hydrochloride.

Molecular Properties

• Compound Name: 2-[4-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]ethanol;2-bromoethanol;tert-butyl N-[[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]carbamate;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;1-(2-hydroxyethyl)pyrazole-4-carbaldehyde;1H-pyrazole-4-carbaldehyde;hydrochloride
• PubChem CID: 157441435
• Molecular Formula: C99H110BrClF4N28O14
• Molecular Weight: 2107.50 g/mol
• Exact Mass: 2104.76
• IUPAC Name: 2-[4-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]ethanol;2-bromoethanol;tert-butyl N-[[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]carbamate;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;1-(2-hydroxyethyl)pyrazole-4-carbaldehyde;1H-pyrazole-4-carbaldehyde;hydrochloride
• SMILES: CC(C)(C)OC(=O)NCc1ccc(-c2ccnc3nc(-c4cnn(CCO)c4)[nH]c23)cc1F.CC(C)(C)c1nc(C(=O)CCc2ccc(-c3ccnc4nc(-c5cnn(CCO)c5)[nH]c34)cc2F)no1.CC(C)(C)c1nc(C(=O)O)no1.CCc1ccc(-c2ccnc(N)c2N)cc1F.Cl.NCc1ccc(-c2ccnc3nc(-c4cnn(CCO)c4)[nH]c23)cc1F.O=Cc1cn[nH]c1.O=Cc1cnn(CCO)c1.OCCBr
• InChI: InChI=1S/C26H26FN7O3.C23H25FN6O3.C18H17FN6O.C13H14FN3.C7H10N2O3.C6H8N2O2.C4H4N2O.C2H5BrO.ClH/c1-26(2,3)25-32-23(33-37-25)20(36)7-6-15-4-5-16(12-19(15)27)18-8-9-28-24-21(18)30-22(31-24)17-13-29-34(14-17)10-11-35;1-23(2,3)33-22(32)26-11-15-5-4-14(10-18(15)24)17-6-7-25-21-19(17)28-20(29-21)16-12-27-30(13-16)8-9-31;19-15-7-11(1-2-12(15)8-20)14-3-4-21-18-16(14)23-17(24-18)13-9-22-25(10-13)5-6-26;1-2-8-3-4-9(7-11(8)14)10-5-6-17-13(16)12(10)15;1-7(2,3)6-8-4(5(10)11)9-12-6;9-2-1-8-4-6(5-10)3-7-8;7-3-4-1-5-6-2-4;3-1-2-4;/h4-5,8-9,12-14,35H,6-7,10-11H2,1-3H3,(H,28,30,31);4-7,10,12-13,31H,8-9,11H2,1-3H3,(H,26,32)(H,25,28,29);1-4,7,9-10,26H,5-6,8,20H2,(H,21,23,24);3-7H,2,15H2,1H3,(H2,16,17);1-3H3,(H,10,11);3-5,9H,1-2H2;1-3H,(H,5,6);4H,1-2H2;1H
• InChIKey: PWVRENSBRQZQAL-UHFFFAOYSA-N
• XLogP: 14.22
• TPSA: 621.45 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 36
• Rotatable Bonds: 27
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2107.50
LogP ≤ 5	14.22
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]ethanol;2-bromoethanol;tert-butyl N-[[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]carbamate;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;1-(2-hydroxyethyl)pyrazole-4-carbaldehyde;1H-pyrazole-4-carbaldehyde;hydrochloride?

The IUPAC name of 2-[4-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]ethanol;2-bromoethanol;tert-butyl N-[[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]carbamate;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;1-(2-hydroxyethyl)pyrazole-4-carbaldehyde;1H-pyrazole-4-carbaldehyde;hydrochloride (CID 157441435) is 2-[4-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]ethanol;2-bromoethanol;tert-butyl N-[[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]carbamate;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;1-(2-hydroxyethyl)pyrazole-4-carbaldehyde;1H-pyrazole-4-carbaldehyde;hydrochloride.

What is the SMILES notation for 2-[4-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]ethanol;2-bromoethanol;tert-butyl N-[[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]carbamate;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;1-(2-hydroxyethyl)pyrazole-4-carbaldehyde;1H-pyrazole-4-carbaldehyde;hydrochloride?

The canonical SMILES for 2-[4-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]ethanol;2-bromoethanol;tert-butyl N-[[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]carbamate;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;1-(2-hydroxyethyl)pyrazole-4-carbaldehyde;1H-pyrazole-4-carbaldehyde;hydrochloride is CC(C)(C)OC(=O)NCc1ccc(-c2ccnc3nc(-c4cnn(CCO)c4)[nH]c23)cc1F.CC(C)(C)c1nc(C(=O)CCc2ccc(-c3ccnc4nc(-c5cnn(CCO)c5)[nH]c34)cc2F)no1.CC(C)(C)c1nc(C(=O)O)no1.CCc1ccc(-c2ccnc(N)c2N)cc1F.Cl.NCc1ccc(-c2ccnc3nc(-c4cnn(CCO)c4)[nH]c23)cc1F.O=Cc1cn[nH]c1.O=Cc1cnn(CCO)c1.OCCBr.

What is the InChIKey of 2-[4-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]ethanol;2-bromoethanol;tert-butyl N-[[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]carbamate;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;1-(2-hydroxyethyl)pyrazole-4-carbaldehyde;1H-pyrazole-4-carbaldehyde;hydrochloride?

The InChIKey is PWVRENSBRQZQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN7O3.C23H25FN6O3.C18H17FN6O.C13H14FN3.C7H10N2O3.C6H8N2O2.C4H4N2O.C2H5BrO.ClH/c1-26(2,3)25-32-23(33-37-25)20(36)7-6-15-4-5-16(12-19(15)27)18-8-9-28-24-21(18)30-22(31-24)17-13-29-34(14-17)10-11-35;1-23(2,3)33-22(32)26-11-15-5-4-14(10-18(15)24)17-6-7-25-21-19(17)28-20(29-21)16-12-27-30(13-16)8-9-31;19-15-7-11(1-2-12(15)8-20)14-3-4-21-18-16(14)23-17(24-18)13-9-22-25(10-13)5-6-26;1-2-8-3-4-9(7-11(8)14)10-5-6-17-13(16)12(10)15;1-7(2,3)6-8-4(5(10)11)9-12-6;9-2-1-8-4-6(5-10)3-7-8;7-3-4-1-5-6-2-4;3-1-2-4;/h4-5,8-9,12-14,35H,6-7,10-11H2,1-3H3,(H,28,30,31);4-7,10,12-13,31H,8-9,11H2,1-3H3,(H,26,32)(H,25,28,29);1-4,7,9-10,26H,5-6,8,20H2,(H,21,23,24);3-7H,2,15H2,1H3,(H2,16,17);1-3H3,(H,10,11);3-5,9H,1-2H2;1-3H,(H,5,6);4H,1-2H2;1H.

What are the key properties of 2-[4-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]ethanol;2-bromoethanol;tert-butyl N-[[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]carbamate;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;1-(2-hydroxyethyl)pyrazole-4-carbaldehyde;1H-pyrazole-4-carbaldehyde;hydrochloride?

2-[4-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]ethanol;2-bromoethanol;tert-butyl N-[[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]carbamate;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;1-(2-hydroxyethyl)pyrazole-4-carbaldehyde;1H-pyrazole-4-carbaldehyde;hydrochloride has a molecular weight of 2107.50 g/mol, XLogP of 14.22, 27 rotatable bonds, 14 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[7-[4-(aminomethyl)-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]ethanol;2-bromoethanol;tert-butyl N-[[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]carbamate;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;4-(4-ethyl-3-fluorophenyl)pyridine-2,3-diamine;1-(2-hydroxyethyl)pyrazole-4-carbaldehyde;1H-pyrazole-4-carbaldehyde;hydrochloride is sourced from PubChem (CID 157441435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).