3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-N-(3-imidazol-1-ylphenyl)benzamide

C25H17N5O — CID 58945722

IUPAC3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-N-(3-imidazol-1-ylphenyl)benzamide
SMILESO=C(Nc1cccc(-n2ccnc2)c1)c1cccc(C#Cc2cnc3ccccn23)c1
InChIInChI=1S/C25H17N5O/c31-25(28-21-7-4-8-22(16-21)29-14-12-26-18-29)20-6-3-5-19(15-20)10-11-23-17-27-24-9-1-2-13-30(23)24/h1-9,12-18H,(H,28,31)
InChIKeyUZBNZAXOLMOSFI-UHFFFAOYSA-N
MW403.45 g/mol
LogP4.17
Rot. Bonds3

About 3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-N-(3-imidazol-1-ylphenyl)benzamide

3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-N-(3-imidazol-1-ylphenyl)benzamide (PubChem CID 58945722) has the molecular formula C25H17N5O and a molecular weight of 403.45 g/mol. Its IUPAC name is 3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-N-(3-imidazol-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-N-(3-imidazol-1-ylphenyl)benzamide
PubChem CID58945722
Molecular FormulaC25H17N5O
Molecular Weight403.45 g/mol
Exact Mass403.14
IUPAC Name3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-N-(3-imidazol-1-ylphenyl)benzamide
SMILESO=C(Nc1cccc(-n2ccnc2)c1)c1cccc(C#Cc2cnc3ccccn23)c1
InChIInChI=1S/C25H17N5O/c31-25(28-21-7-4-8-22(16-21)29-14-12-26-18-29)20-6-3-5-19(15-20)10-11-23-17-27-24-9-1-2-13-30(23)24/h1-9,12-18H,(H,28,31)
InChIKeyUZBNZAXOLMOSFI-UHFFFAOYSA-N
XLogP4.17
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-N-[3-(3-methylimidazol-3-ium-1-yl)phenyl]benzamide
CID 123886354
3-imidazol-1-yl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide
CID 154837809
3-imidazol-1-yl-N-(1-methylpyrazol-4-yl)benzamide
CID 155948039
5-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 165026175
6-chloro-N-(3-imidazol-1-ylphenyl)pyrazine-2-carboxamide
CID 103337237
N-[3-chloro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(2-imidazo[1,2-a]pyridin-3-ylethynyl)pyridine-3-carboxamide
CID 72546156
6-chloro-N-(3-imidazol-1-ylphenyl)pyridine-2-carboxamide
CID 62235091
5-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 146476035
3-cyclopropyl-N-(3-imidazol-1-ylphenyl)thiophene-2-carboxamide
CID 51095447
N-(3-imidazol-1-ylphenyl)-1,1-dioxo-3,4-dihydro-2H-thiopyran-5-carboxamide
CID 155963940
3-(3-imidazol-1-ylpropanoylamino)-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide
CID 55987614
N-(3-imidazol-1-ylphenyl)cyclopropanecarboxamide
CID 47215374

Frequently Asked Questions

What is the IUPAC name of 3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-N-(3-imidazol-1-ylphenyl)benzamide?
The IUPAC name of 3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-N-(3-imidazol-1-ylphenyl)benzamide (CID 58945722) is 3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-N-(3-imidazol-1-ylphenyl)benzamide.
What is the SMILES notation for 3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-N-(3-imidazol-1-ylphenyl)benzamide?
The canonical SMILES for 3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-N-(3-imidazol-1-ylphenyl)benzamide is O=C(Nc1cccc(-n2ccnc2)c1)c1cccc(C#Cc2cnc3ccccn23)c1.
What is the InChIKey of 3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-N-(3-imidazol-1-ylphenyl)benzamide?
The InChIKey is UZBNZAXOLMOSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N5O/c31-25(28-21-7-4-8-22(16-21)29-14-12-26-18-29)20-6-3-5-19(15-20)10-11-23-17-27-24-9-1-2-13-30(23)24/h1-9,12-18H,(H,28,31).
What are the key properties of 3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-N-(3-imidazol-1-ylphenyl)benzamide?
3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-N-(3-imidazol-1-ylphenyl)benzamide has a molecular weight of 403.45 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-N-(3-imidazol-1-ylphenyl)benzamide is sourced from PubChem (CID 58945722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).