3-[3-[4-(aminomethyl)phenyl]-5-chloroimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;2-[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-3-yl]phenyl]benzamide;2-[4-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide

C72H57BrClN19O2 — CID 89120690

IUPAC3-[3-[4-(aminomethyl)phenyl]-5-chloroimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;2-[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-3-yl]phenyl]benzamide;2-[4-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide
SMILESCc1ccc2cc(NC(=O)Cc3ccc(-n4c(-c5cccnc5N)nc5ccc(C)nc54)cc3)ccc2n1.NC(=O)c1ccccc1-c1ccc(-n2c(-c3cccnc3N)nc3cc(Br)cnc32)cc1.NCc1ccc(-n2c(-c3cccnc3N)nc3ccc(Cl)nc32)cc1
InChIInChI=1S/C30H25N7O.C24H17BrN6O.C18H15ClN6/c1-18-5-9-21-17-22(10-14-25(21)33-18)35-27(38)16-20-7-11-23(12-8-20)37-29(24-4-3-15-32-28(24)31)36-26-13-6-19(2)34-30(26)37;25-15-12-20-24(29-13-15)31(23(30-20)19-6-3-11-28-21(19)26)16-9-7-14(8-10-16)17-4-1-2-5-18(17)22(27)32;19-15-8-7-14-18(24-15)25(12-5-3-11(10-20)4-6-12)17(23-14)13-2-1-9-22-16(13)21/h3-15,17H,16H2,1-2H3,(H2,31,32)(H,35,38);1-13H,(H2,26,28)(H2,27,32);1-9H,10,20H2,(H2,21,22)
InChIKeyVUSDIVFMRAVDFK-UHFFFAOYSA-N
MW1335.74 g/mol
LogP13.18
Rot. Bonds12

About 3-[3-[4-(aminomethyl)phenyl]-5-chloroimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;2-[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-3-yl]phenyl]benzamide;2-[4-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide

3-[3-[4-(aminomethyl)phenyl]-5-chloroimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;2-[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-3-yl]phenyl]benzamide;2-[4-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide (PubChem CID 89120690) has the molecular formula C72H57BrClN19O2 and a molecular weight of 1335.74 g/mol. Its IUPAC name is 3-[3-[4-(aminomethyl)phenyl]-5-chloroimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;2-[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-3-yl]phenyl]benzamide;2-[4-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide.

Molecular Properties

Compound Name3-[3-[4-(aminomethyl)phenyl]-5-chloroimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;2-[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-3-yl]phenyl]benzamide;2-[4-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide
PubChem CID89120690
Molecular FormulaC72H57BrClN19O2
Molecular Weight1335.74 g/mol
Exact Mass1333.38
IUPAC Name3-[3-[4-(aminomethyl)phenyl]-5-chloroimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;2-[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-3-yl]phenyl]benzamide;2-[4-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide
SMILESCc1ccc2cc(NC(=O)Cc3ccc(-n4c(-c5cccnc5N)nc5ccc(C)nc54)cc3)ccc2n1.NC(=O)c1ccccc1-c1ccc(-n2c(-c3cccnc3N)nc3cc(Br)cnc32)cc1.NCc1ccc(-n2c(-c3cccnc3N)nc3ccc(Cl)nc32)cc1
InChIInChI=1S/C30H25N7O.C24H17BrN6O.C18H15ClN6/c1-18-5-9-21-17-22(10-14-25(21)33-18)35-27(38)16-20-7-11-23(12-8-20)37-29(24-4-3-15-32-28(24)31)36-26-13-6-19(2)34-30(26)37;25-15-12-20-24(29-13-15)31(23(30-20)19-6-3-11-28-21(19)26)16-9-7-14(8-10-16)17-4-1-2-5-18(17)22(27)32;19-15-8-7-14-18(24-15)25(12-5-3-11(10-20)4-6-12)17(23-14)13-2-1-9-22-16(13)21/h3-15,17H,16H2,1-2H3,(H2,31,32)(H,35,38);1-13H,(H2,26,28)(H2,27,32);1-9H,10,20H2,(H2,21,22)
InChIKeyVUSDIVFMRAVDFK-UHFFFAOYSA-N
XLogP13.18
TPSA319.96 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001335.74
LogP ≤ 513.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 3-[3-[4-(aminomethyl)phenyl]-5-chloroimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;2-[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-3-yl]phenyl]benzamide;2-[4-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(aminomethyl)phenyl]-5-chloroimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;2-[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-3-yl]phenyl]benzamide;2-[4-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide?
The IUPAC name of 3-[3-[4-(aminomethyl)phenyl]-5-chloroimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;2-[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-3-yl]phenyl]benzamide;2-[4-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide (CID 89120690) is 3-[3-[4-(aminomethyl)phenyl]-5-chloroimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;2-[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-3-yl]phenyl]benzamide;2-[4-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide.
What is the SMILES notation for 3-[3-[4-(aminomethyl)phenyl]-5-chloroimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;2-[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-3-yl]phenyl]benzamide;2-[4-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide?
The canonical SMILES for 3-[3-[4-(aminomethyl)phenyl]-5-chloroimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;2-[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-3-yl]phenyl]benzamide;2-[4-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide is Cc1ccc2cc(NC(=O)Cc3ccc(-n4c(-c5cccnc5N)nc5ccc(C)nc54)cc3)ccc2n1.NC(=O)c1ccccc1-c1ccc(-n2c(-c3cccnc3N)nc3cc(Br)cnc32)cc1.NCc1ccc(-n2c(-c3cccnc3N)nc3ccc(Cl)nc32)cc1.
What is the InChIKey of 3-[3-[4-(aminomethyl)phenyl]-5-chloroimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;2-[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-3-yl]phenyl]benzamide;2-[4-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide?
The InChIKey is VUSDIVFMRAVDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N7O.C24H17BrN6O.C18H15ClN6/c1-18-5-9-21-17-22(10-14-25(21)33-18)35-27(38)16-20-7-11-23(12-8-20)37-29(24-4-3-15-32-28(24)31)36-26-13-6-19(2)34-30(26)37;25-15-12-20-24(29-13-15)31(23(30-20)19-6-3-11-28-21(19)26)16-9-7-14(8-10-16)17-4-1-2-5-18(17)22(27)32;19-15-8-7-14-18(24-15)25(12-5-3-11(10-20)4-6-12)17(23-14)13-2-1-9-22-16(13)21/h3-15,17H,16H2,1-2H3,(H2,31,32)(H,35,38);1-13H,(H2,26,28)(H2,27,32);1-9H,10,20H2,(H2,21,22).
What are the key properties of 3-[3-[4-(aminomethyl)phenyl]-5-chloroimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;2-[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-3-yl]phenyl]benzamide;2-[4-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide?
3-[3-[4-(aminomethyl)phenyl]-5-chloroimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;2-[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-3-yl]phenyl]benzamide;2-[4-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide has a molecular weight of 1335.74 g/mol, XLogP of 13.18, 12 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(aminomethyl)phenyl]-5-chloroimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;2-[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-3-yl]phenyl]benzamide;2-[4-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide is sourced from PubChem (CID 89120690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).