tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-chloroimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-(2-hydroxyethylamino)phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]ethanol

C74H86BClN14O8 — CID 159329731

About tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-chloroimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-(2-hydroxyethylamino)phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]ethanol

tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-chloroimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-(2-hydroxyethylamino)phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]ethanol (PubChem CID 159329731) has the molecular formula C74H86BClN14O8 and a molecular weight of 1345.86 g/mol. Its IUPAC name is tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-chloroimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-(2-hydroxyethylamino)phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]ethanol.

Molecular Properties

• Compound Name: tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-chloroimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-(2-hydroxyethylamino)phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]ethanol
• PubChem CID: 159329731
• Molecular Formula: C74H86BClN14O8
• Molecular Weight: 1345.86 g/mol
• Exact Mass: 1344.65
• IUPAC Name: tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-chloroimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-(2-hydroxyethylamino)phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]ethanol
• SMILES: CC(C)(C)OC(=O)NC1(c2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5cccc(NCCO)c5)nc43)cc2)CCC1.CC(C)(C)OC(=O)NC1(c2ccc(-n3c(-c4cccnc4N)nc4ccc(Cl)nc43)cc2)CCC1.CC1(C)OB(c2cccc(NCCO)c2)OC1(C)C
• InChI: InChI=1S/C34H37N7O3.C26H27ClN6O2.C14H22BNO3/c1-33(2,3)44-32(43)40-34(16-6-17-34)23-10-12-25(13-11-23)41-30(26-9-5-18-37-29(26)35)39-28-15-14-27(38-31(28)41)22-7-4-8-24(21-22)36-19-20-42;1-25(2,3)35-24(34)32-26(13-5-14-26)16-7-9-17(10-8-16)33-22(18-6-4-15-29-21(18)28)30-19-11-12-20(27)31-23(19)33;1-13(2)14(3,4)19-15(18-13)11-6-5-7-12(10-11)16-8-9-17/h4-5,7-15,18,21,36,42H,6,16-17,19-20H2,1-3H3,(H2,35,37)(H,40,43);4,6-12,15H,5,13-14H2,1-3H3,(H2,28,29)(H,32,34);5-7,10,16-17H,8-9H2,1-4H3
• InChIKey: LEVBEMUNLBNURA-UHFFFAOYSA-N
• XLogP: 13.05
• TPSA: 298.88 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1345.86
LogP ≤ 5	13.05
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-chloroimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-(2-hydroxyethylamino)phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]ethanol?

The IUPAC name of tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-chloroimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-(2-hydroxyethylamino)phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]ethanol (CID 159329731) is tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-chloroimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-(2-hydroxyethylamino)phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]ethanol.

What is the SMILES notation for tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-chloroimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-(2-hydroxyethylamino)phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]ethanol?

The canonical SMILES for tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-chloroimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-(2-hydroxyethylamino)phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]ethanol is CC(C)(C)OC(=O)NC1(c2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5cccc(NCCO)c5)nc43)cc2)CCC1.CC(C)(C)OC(=O)NC1(c2ccc(-n3c(-c4cccnc4N)nc4ccc(Cl)nc43)cc2)CCC1.CC1(C)OB(c2cccc(NCCO)c2)OC1(C)C.

What is the InChIKey of tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-chloroimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-(2-hydroxyethylamino)phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]ethanol?

The InChIKey is LEVBEMUNLBNURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N7O3.C26H27ClN6O2.C14H22BNO3/c1-33(2,3)44-32(43)40-34(16-6-17-34)23-10-12-25(13-11-23)41-30(26-9-5-18-37-29(26)35)39-28-15-14-27(38-31(28)41)22-7-4-8-24(21-22)36-19-20-42;1-25(2,3)35-24(34)32-26(13-5-14-26)16-7-9-17(10-8-16)33-22(18-6-4-15-29-21(18)28)30-19-11-12-20(27)31-23(19)33;1-13(2)14(3,4)19-15(18-13)11-6-5-7-12(10-11)16-8-9-17/h4-5,7-15,18,21,36,42H,6,16-17,19-20H2,1-3H3,(H2,35,37)(H,40,43);4,6-12,15H,5,13-14H2,1-3H3,(H2,28,29)(H,32,34);5-7,10,16-17H,8-9H2,1-4H3.

What are the key properties of tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-chloroimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-(2-hydroxyethylamino)phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]ethanol?

tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-chloroimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-(2-hydroxyethylamino)phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]ethanol has a molecular weight of 1345.86 g/mol, XLogP of 13.05, 16 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-chloroimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-(2-hydroxyethylamino)phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamate;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]ethanol is sourced from PubChem (CID 159329731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).