8-chloro-7-(2-fluoroanilino)-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide

C16H14ClFN4O3 — CID 58760507

IUPAC8-chloro-7-(2-fluoroanilino)-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NOCCO)c1cn2ccnc2c(Cl)c1Nc1ccccc1F
InChIInChI=1S/C16H14ClFN4O3/c17-13-14(20-12-4-2-1-3-11(12)18)10(16(24)21-25-8-7-23)9-22-6-5-19-15(13)22/h1-6,9,20,23H,7-8H2,(H,21,24)
InChIKeyCCEULDNBSVWLLU-UHFFFAOYSA-N
MW364.76 g/mol
LogP2.52
Rot. Bonds6

About 8-chloro-7-(2-fluoroanilino)-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide

8-chloro-7-(2-fluoroanilino)-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 58760507) has the molecular formula C16H14ClFN4O3 and a molecular weight of 364.76 g/mol. Its IUPAC name is 8-chloro-7-(2-fluoroanilino)-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name8-chloro-7-(2-fluoroanilino)-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID58760507
Molecular FormulaC16H14ClFN4O3
Molecular Weight364.76 g/mol
Exact Mass364.07
IUPAC Name8-chloro-7-(2-fluoroanilino)-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NOCCO)c1cn2ccnc2c(Cl)c1Nc1ccccc1F
InChIInChI=1S/C16H14ClFN4O3/c17-13-14(20-12-4-2-1-3-11(12)18)10(16(24)21-25-8-7-23)9-22-6-5-19-15(13)22/h1-6,9,20,23H,7-8H2,(H,21,24)
InChIKeyCCEULDNBSVWLLU-UHFFFAOYSA-N
XLogP2.52
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.76
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 163986010
CID 163986010
2-[[7-(4-bromo-2-chloroanilino)-8-chloroimidazo[1,2-a]pyridine-6-carbonyl]amino]oxyethyl dihydrogen phosphate
CID 58760505
7-(4-bromo-2-chloroanilino)-8-chloro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide
CID 89353165
7-(4-bromo-2-fluoroanilino)-8-chloroimidazo[1,2-a]pyridine-6-carboxamide
CID 71189060
8-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-a]pyrazine-7-carboxamide
CID 143826385
N-(cyclopropylmethoxy)-7-(2,4-dichloroanilino)-8-fluoroimidazo[1,2-a]pyridine-6-carboxamide
CID 89353136
3-chloro-7-(2,4-dichloroanilino)-8-fluoro-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide
CID 58886667
7-(4-chloro-2-fluoroanilino)-8-fluoro-N-[(2-methylpropan-2-yl)oxy]imidazo[1,2-a]pyridine-6-carboxamide
CID 89185454
7-(4-bromo-2-fluoroanilino)-8-fluoro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide
CID 89353191
7-(4-bromo-2-fluoroanilino)-N-(1-hydroxy-2-methylpropan-2-yl)oxy-8-methylimidazo[1,2-a]pyridine-6-carboxamide
CID 89353166
8-chloro-7-(2-chloro-4-methylanilino)-N-(2-hydroxyethoxy)-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 59991464
3,4-difluoro-2-(2-fluoro-4-propylanilino)-N-(2-hydroxyethoxy)benzamide
CID 10126260

Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-(2-fluoroanilino)-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 8-chloro-7-(2-fluoroanilino)-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide (CID 58760507) is 8-chloro-7-(2-fluoroanilino)-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 8-chloro-7-(2-fluoroanilino)-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 8-chloro-7-(2-fluoroanilino)-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide is O=C(NOCCO)c1cn2ccnc2c(Cl)c1Nc1ccccc1F.
What is the InChIKey of 8-chloro-7-(2-fluoroanilino)-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is CCEULDNBSVWLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN4O3/c17-13-14(20-12-4-2-1-3-11(12)18)10(16(24)21-25-8-7-23)9-22-6-5-19-15(13)22/h1-6,9,20,23H,7-8H2,(H,21,24).
What are the key properties of 8-chloro-7-(2-fluoroanilino)-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide?
8-chloro-7-(2-fluoroanilino)-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 364.76 g/mol, XLogP of 2.52, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-(2-fluoroanilino)-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 58760507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).