tert-butyl N-[4-[3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-chloro-3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridine;methane

C63H74BCl3F2N10O10 — CID 163851749

About tert-butyl N-[4-[3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-chloro-3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridine;methane

tert-butyl N-[4-[3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-chloro-3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridine;methane (PubChem CID 163851749) has the molecular formula C63H74BCl3F2N10O10 and a molecular weight of 1286.51 g/mol. Its IUPAC name is tert-butyl N-[4-[3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-chloro-3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridine;methane.

Molecular Properties

• Compound Name: tert-butyl N-[4-[3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-chloro-3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridine;methane
• PubChem CID: 163851749
• Molecular Formula: C63H74BCl3F2N10O10
• Molecular Weight: 1286.51 g/mol
• Exact Mass: 1284.47
• IUPAC Name: tert-butyl N-[4-[3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-chloro-3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridine;methane
• SMILES: C.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1.Cc1nc2ccc(-c3ccnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c3)nc2n1-c1ccc(Cl)c(F)c1.Cc1nc2ccc(Cl)nc2n1-c1ccc(Cl)c(F)c1
• InChI: InChI=1S/C28H29ClFN5O4.C21H33BN2O6.C13H8Cl2FN3.CH4/c1-16-32-22-11-10-21(33-24(22)34(16)18-8-9-19(29)20(30)15-18)17-12-13-31-23(14-17)35(25(36)38-27(2,3)4)26(37)39-28(5,6)7;1-18(2,3)27-16(25)24(17(26)28-19(4,5)6)15-13-14(11-12-23-15)22-29-20(7,8)21(9,10)30-22;1-7-17-11-4-5-12(15)18-13(11)19(7)8-2-3-9(14)10(16)6-8;/h8-15H,1-7H3;11-13H,1-10H3;2-6H,1H3;1H4
• InChIKey: OUYMZXTXEDXAJM-UHFFFAOYSA-N
• XLogP: 16.13
• TPSA: 217.34 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 6
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1286.51
LogP ≤ 5	16.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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-[4-[3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-chloro-3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridine;methane?

The IUPAC name of tert-butyl N-[4-[3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-chloro-3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridine;methane (CID 163851749) is tert-butyl N-[4-[3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-chloro-3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridine;methane.

What is the SMILES notation for tert-butyl N-[4-[3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-chloro-3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridine;methane?

The canonical SMILES for tert-butyl N-[4-[3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-chloro-3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridine;methane is C.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1.Cc1nc2ccc(-c3ccnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c3)nc2n1-c1ccc(Cl)c(F)c1.Cc1nc2ccc(Cl)nc2n1-c1ccc(Cl)c(F)c1.

What is the InChIKey of tert-butyl N-[4-[3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-chloro-3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridine;methane?

The InChIKey is OUYMZXTXEDXAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClFN5O4.C21H33BN2O6.C13H8Cl2FN3.CH4/c1-16-32-22-11-10-21(33-24(22)34(16)18-8-9-19(29)20(30)15-18)17-12-13-31-23(14-17)35(25(36)38-27(2,3)4)26(37)39-28(5,6)7;1-18(2,3)27-16(25)24(17(26)28-19(4,5)6)15-13-14(11-12-23-15)22-29-20(7,8)21(9,10)30-22;1-7-17-11-4-5-12(15)18-13(11)19(7)8-2-3-9(14)10(16)6-8;/h8-15H,1-7H3;11-13H,1-10H3;2-6H,1H3;1H4.

What are the key properties of tert-butyl N-[4-[3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-chloro-3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridine;methane?

tert-butyl N-[4-[3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-chloro-3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridine;methane has a molecular weight of 1286.51 g/mol, XLogP of 16.13, 6 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[4-[3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-chloro-3-(4-chloro-3-fluorophenyl)-2-methylimidazo[4,5-b]pyridine;methane is sourced from PubChem (CID 163851749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).