4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-N-phenylpiperazine-1-carboxamide

C25H26BrN7O — CID 46868505

IUPAC4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-N-phenylpiperazine-1-carboxamide
SMILESCN(C)c1ccc(-c2nc3ncc(Br)c(N4CCN(C(=O)Nc5ccccc5)CC4)c3[nH]2)cc1
InChIInChI=1S/C25H26BrN7O/c1-31(2)19-10-8-17(9-11-19)23-29-21-22(20(26)16-27-24(21)30-23)32-12-14-33(15-13-32)25(34)28-18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3,(H,28,34)(H,27,29,30)
InChIKeyBBGHGXDFMUZCHT-UHFFFAOYSA-N
MW520.44 g/mol
LogP4.81
Rot. Bonds4

About 4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-N-phenylpiperazine-1-carboxamide

4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-N-phenylpiperazine-1-carboxamide (PubChem CID 46868505) has the molecular formula C25H26BrN7O and a molecular weight of 520.44 g/mol. Its IUPAC name is 4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-N-phenylpiperazine-1-carboxamide
PubChem CID46868505
Molecular FormulaC25H26BrN7O
Molecular Weight520.44 g/mol
Exact Mass519.14
IUPAC Name4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-N-phenylpiperazine-1-carboxamide
SMILESCN(C)c1ccc(-c2nc3ncc(Br)c(N4CCN(C(=O)Nc5ccccc5)CC4)c3[nH]2)cc1
InChIInChI=1S/C25H26BrN7O/c1-31(2)19-10-8-17(9-11-19)23-29-21-22(20(26)16-27-24(21)30-23)32-12-14-33(15-13-32)25(34)28-18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3,(H,28,34)(H,27,29,30)
InChIKeyBBGHGXDFMUZCHT-UHFFFAOYSA-N
XLogP4.81
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.44
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-N-phenylpiperazine-1-carboxamide (CID 46868505) is 4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-N-phenylpiperazine-1-carboxamide is CN(C)c1ccc(-c2nc3ncc(Br)c(N4CCN(C(=O)Nc5ccccc5)CC4)c3[nH]2)cc1.
What is the InChIKey of 4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is BBGHGXDFMUZCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BrN7O/c1-31(2)19-10-8-17(9-11-19)23-29-21-22(20(26)16-27-24(21)30-23)32-12-14-33(15-13-32)25(34)28-18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3,(H,28,34)(H,27,29,30).
What are the key properties of 4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-N-phenylpiperazine-1-carboxamide?
4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 520.44 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 46868505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).