2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide

C20H18FN5O — CID 72851675

IUPAC2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCCCn1ccnc1)c1ccc2nc(-c3ccc(F)cc3)cn2c1
InChIInChI=1S/C20H18FN5O/c21-17-5-2-15(3-6-17)18-13-26-12-16(4-7-19(26)24-18)20(27)23-8-1-10-25-11-9-22-14-25/h2-7,9,11-14H,1,8,10H2,(H,23,27)
InChIKeyLVWNURXWCZNZDJ-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.16
Rot. Bonds6

About 2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide

2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 72851675) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID72851675
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCCCn1ccnc1)c1ccc2nc(-c3ccc(F)cc3)cn2c1
InChIInChI=1S/C20H18FN5O/c21-17-5-2-15(3-6-17)18-13-26-12-16(4-7-19(26)24-18)20(27)23-8-1-10-25-11-9-22-14-25/h2-7,9,11-14H,1,8,10H2,(H,23,27)
InChIKeyLVWNURXWCZNZDJ-UHFFFAOYSA-N
XLogP3.16
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
CID 29432371
2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 42536427
6-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821715
2-(4-chlorophenyl)-N-pentylimidazo[1,2-a]pyridine-6-carboxamide
CID 69410874
N-[(2R)-2-[ethyl(methyl)amino]butyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 97192179
4-fluoro-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 63212783
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491
6-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide
CID 113323370
N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 2994069
N-(3-imidazol-1-ylpropyl)-1-methylpyridin-1-ium-4-carboxamide
CID 39847983
N'-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 2883621

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide (CID 72851675) is 2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide is O=C(NCCCn1ccnc1)c1ccc2nc(-c3ccc(F)cc3)cn2c1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is LVWNURXWCZNZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c21-17-5-2-15(3-6-17)18-13-26-12-16(4-7-19(26)24-18)20(27)23-8-1-10-25-11-9-22-14-25/h2-7,9,11-14H,1,8,10H2,(H,23,27).
What are the key properties of 2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide?
2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 363.40 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 72851675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).