N-[[4-[2-(2-amino-3-pyridinyl)-5-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide;2-[4-[2-(2-amino-3-pyridinyl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide;N-[[4-[2-(2-amino-3-pyridinyl)-5-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide

C92H68F2N20O4S — CID 89120208

IUPACN-[[4-[2-(2-amino-3-pyridinyl)-5-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide;2-[4-[2-(2-amino-3-pyridinyl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide;N-[[4-[2-(2-amino-3-pyridinyl)-5-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide
SMILESCc1ccc2cc(NC(=O)Cc3ccc(-n4c(-c5cccnc5N)nc5cc(-c6cccnc6)cnc54)cc3)ccc2n1.Nc1ncccc1-c1nc2ccc(-c3ccco3)nc2n1-c1ccc(CNC(=O)c2cccc(F)c2)cc1.Nc1ncccc1-c1nc2ccc(-c3ccsc3)nc2n1-c1ccc(CNC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C34H26N8O.C29H21FN6O2.C29H21FN6OS/c1-21-6-9-23-17-26(10-13-29(23)39-21)40-31(43)16-22-7-11-27(12-8-22)42-33(28-5-3-15-37-32(28)35)41-30-18-25(20-38-34(30)42)24-4-2-14-36-19-24;30-20-5-1-4-19(16-20)29(37)33-17-18-8-10-21(11-9-18)36-27(22-6-2-14-32-26(22)31)35-24-13-12-23(34-28(24)36)25-7-3-15-38-25;30-21-4-1-3-19(15-21)29(37)33-16-18-6-8-22(9-7-18)36-27(23-5-2-13-32-26(23)31)35-25-11-10-24(34-28(25)36)20-12-14-38-17-20/h2-15,17-20H,16H2,1H3,(H2,35,37)(H,40,43);1-16H,17H2,(H2,31,32)(H,33,37);1-15,17H,16H2,(H2,31,32)(H,33,37)
InChIKeyPCADXFRDTLFMFM-UHFFFAOYSA-N
MW1587.75 g/mol
LogP17.42
Rot. Bonds18

About N-[[4-[2-(2-amino-3-pyridinyl)-5-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide;2-[4-[2-(2-amino-3-pyridinyl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide;N-[[4-[2-(2-amino-3-pyridinyl)-5-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide

N-[[4-[2-(2-amino-3-pyridinyl)-5-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide;2-[4-[2-(2-amino-3-pyridinyl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide;N-[[4-[2-(2-amino-3-pyridinyl)-5-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide (PubChem CID 89120208) has the molecular formula C92H68F2N20O4S and a molecular weight of 1587.75 g/mol. Its IUPAC name is N-[[4-[2-(2-amino-3-pyridinyl)-5-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide;2-[4-[2-(2-amino-3-pyridinyl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide;N-[[4-[2-(2-amino-3-pyridinyl)-5-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[[4-[2-(2-amino-3-pyridinyl)-5-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide;2-[4-[2-(2-amino-3-pyridinyl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide;N-[[4-[2-(2-amino-3-pyridinyl)-5-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide
PubChem CID89120208
Molecular FormulaC92H68F2N20O4S
Molecular Weight1587.75 g/mol
Exact Mass1586.54
IUPAC NameN-[[4-[2-(2-amino-3-pyridinyl)-5-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide;2-[4-[2-(2-amino-3-pyridinyl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide;N-[[4-[2-(2-amino-3-pyridinyl)-5-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide
SMILESCc1ccc2cc(NC(=O)Cc3ccc(-n4c(-c5cccnc5N)nc5cc(-c6cccnc6)cnc54)cc3)ccc2n1.Nc1ncccc1-c1nc2ccc(-c3ccco3)nc2n1-c1ccc(CNC(=O)c2cccc(F)c2)cc1.Nc1ncccc1-c1nc2ccc(-c3ccsc3)nc2n1-c1ccc(CNC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C34H26N8O.C29H21FN6O2.C29H21FN6OS/c1-21-6-9-23-17-26(10-13-29(23)39-21)40-31(43)16-22-7-11-27(12-8-22)42-33(28-5-3-15-37-32(28)35)41-30-18-25(20-38-34(30)42)24-4-2-14-36-19-24;30-20-5-1-4-19(16-20)29(37)33-17-18-8-10-21(11-9-18)36-27(22-6-2-14-32-26(22)31)35-24-13-12-23(34-28(24)36)25-7-3-15-38-25;30-21-4-1-3-19(15-21)29(37)33-16-18-6-8-22(9-7-18)36-27(23-5-2-13-32-26(23)31)35-25-11-10-24(34-28(25)36)20-12-14-38-17-20/h2-15,17-20H,16H2,1H3,(H2,35,37)(H,40,43);1-16H,17H2,(H2,31,32)(H,33,37);1-15,17H,16H2,(H2,31,32)(H,33,37)
InChIKeyPCADXFRDTLFMFM-UHFFFAOYSA-N
XLogP17.42
TPSA335.08 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms119
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001587.75
LogP ≤ 517.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze N-[[4-[2-(2-amino-3-pyridinyl)-5-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide;2-[4-[2-(2-amino-3-pyridinyl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide;N-[[4-[2-(2-amino-3-pyridinyl)-5-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(2-amino-3-pyridinyl)-5-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide;2-[4-[2-(2-amino-3-pyridinyl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide;N-[[4-[2-(2-amino-3-pyridinyl)-5-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide?
The IUPAC name of N-[[4-[2-(2-amino-3-pyridinyl)-5-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide;2-[4-[2-(2-amino-3-pyridinyl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide;N-[[4-[2-(2-amino-3-pyridinyl)-5-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide (CID 89120208) is N-[[4-[2-(2-amino-3-pyridinyl)-5-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide;2-[4-[2-(2-amino-3-pyridinyl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide;N-[[4-[2-(2-amino-3-pyridinyl)-5-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide.
What is the SMILES notation for N-[[4-[2-(2-amino-3-pyridinyl)-5-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide;2-[4-[2-(2-amino-3-pyridinyl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide;N-[[4-[2-(2-amino-3-pyridinyl)-5-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide?
The canonical SMILES for N-[[4-[2-(2-amino-3-pyridinyl)-5-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide;2-[4-[2-(2-amino-3-pyridinyl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide;N-[[4-[2-(2-amino-3-pyridinyl)-5-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide is Cc1ccc2cc(NC(=O)Cc3ccc(-n4c(-c5cccnc5N)nc5cc(-c6cccnc6)cnc54)cc3)ccc2n1.Nc1ncccc1-c1nc2ccc(-c3ccco3)nc2n1-c1ccc(CNC(=O)c2cccc(F)c2)cc1.Nc1ncccc1-c1nc2ccc(-c3ccsc3)nc2n1-c1ccc(CNC(=O)c2cccc(F)c2)cc1.
What is the InChIKey of N-[[4-[2-(2-amino-3-pyridinyl)-5-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide;2-[4-[2-(2-amino-3-pyridinyl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide;N-[[4-[2-(2-amino-3-pyridinyl)-5-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide?
The InChIKey is PCADXFRDTLFMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N8O.C29H21FN6O2.C29H21FN6OS/c1-21-6-9-23-17-26(10-13-29(23)39-21)40-31(43)16-22-7-11-27(12-8-22)42-33(28-5-3-15-37-32(28)35)41-30-18-25(20-38-34(30)42)24-4-2-14-36-19-24;30-20-5-1-4-19(16-20)29(37)33-17-18-8-10-21(11-9-18)36-27(22-6-2-14-32-26(22)31)35-24-13-12-23(34-28(24)36)25-7-3-15-38-25;30-21-4-1-3-19(15-21)29(37)33-16-18-6-8-22(9-7-18)36-27(23-5-2-13-32-26(23)31)35-25-11-10-24(34-28(25)36)20-12-14-38-17-20/h2-15,17-20H,16H2,1H3,(H2,35,37)(H,40,43);1-16H,17H2,(H2,31,32)(H,33,37);1-15,17H,16H2,(H2,31,32)(H,33,37).
What are the key properties of N-[[4-[2-(2-amino-3-pyridinyl)-5-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide;2-[4-[2-(2-amino-3-pyridinyl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide;N-[[4-[2-(2-amino-3-pyridinyl)-5-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide?
N-[[4-[2-(2-amino-3-pyridinyl)-5-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide;2-[4-[2-(2-amino-3-pyridinyl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide;N-[[4-[2-(2-amino-3-pyridinyl)-5-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide has a molecular weight of 1587.75 g/mol, XLogP of 17.42, 18 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(2-amino-3-pyridinyl)-5-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide;2-[4-[2-(2-amino-3-pyridinyl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide;N-[[4-[2-(2-amino-3-pyridinyl)-5-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide is sourced from PubChem (CID 89120208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).