3-chloro-7-(2,4-dichloroanilino)-8-fluoro-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide

C16H12Cl3FN4O3 — CID 58886667

IUPAC3-chloro-7-(2,4-dichloroanilino)-8-fluoro-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NOCCO)c1cn2c(Cl)cnc2c(F)c1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl3FN4O3/c17-8-1-2-11(10(18)5-8)22-14-9(16(26)23-27-4-3-25)7-24-12(19)6-21-15(24)13(14)20/h1-2,5-7,22,25H,3-4H2,(H,23,26)
InChIKeyNWPNIMOHYUWBAW-UHFFFAOYSA-N
MW433.65 g/mol
LogP3.83
Rot. Bonds6

About 3-chloro-7-(2,4-dichloroanilino)-8-fluoro-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide

3-chloro-7-(2,4-dichloroanilino)-8-fluoro-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 58886667) has the molecular formula C16H12Cl3FN4O3 and a molecular weight of 433.65 g/mol. Its IUPAC name is 3-chloro-7-(2,4-dichloroanilino)-8-fluoro-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-chloro-7-(2,4-dichloroanilino)-8-fluoro-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID58886667
Molecular FormulaC16H12Cl3FN4O3
Molecular Weight433.65 g/mol
Exact Mass432.00
IUPAC Name3-chloro-7-(2,4-dichloroanilino)-8-fluoro-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NOCCO)c1cn2c(Cl)cnc2c(F)c1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl3FN4O3/c17-8-1-2-11(10(18)5-8)22-14-9(16(26)23-27-4-3-25)7-24-12(19)6-21-15(24)13(14)20/h1-2,5-7,22,25H,3-4H2,(H,23,26)
InChIKeyNWPNIMOHYUWBAW-UHFFFAOYSA-N
XLogP3.83
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.65
LogP ≤ 53.83
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

N-(cyclopropylmethoxy)-7-(2,4-dichloroanilino)-8-fluoroimidazo[1,2-a]pyridine-6-carboxamide
CID 89353136
CID 163986010
CID 163986010
8-chloro-7-(2-chloro-4-methylanilino)-N-(2-hydroxyethoxy)-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 59991464
8-chloro-7-(2-fluoroanilino)-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide
CID 58760507
6-(4-bromo-2-chloroanilino)-7-fluoro-3-[(4-fluorophenyl)methyl]-N-(2-hydroxyethoxy)benzimidazole-5-carboxamide
CID 11489746
3,4-difluoro-2-[2-fluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]-N-(2-hydroxyethoxy)benzamide
CID 23504106
8-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-a]pyrazine-7-carboxamide
CID 143826385
2-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-(2-hydroxyethoxy)benzamide
CID 89277357
6-(4-bromo-2-chloroanilino)-7-fluoro-N-(2-hydroxyethoxy)-3-methyl-1,2-dihydrobenzimidazole-5-carboxamide
CID 88995192
2-(2-chloro-4-methylanilino)-3,4-difluoro-N-(fluoromethoxy)benzamide
CID 143074005
3,4-difluoro-2-(2-fluoro-4-propylanilino)-N-(2-hydroxyethoxy)benzamide
CID 10126260
7-(4-chloro-2-fluoroanilino)-8-fluoro-N-[(2-methylpropan-2-yl)oxy]imidazo[1,2-a]pyridine-6-carboxamide
CID 89185454

Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-(2,4-dichloroanilino)-8-fluoro-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 3-chloro-7-(2,4-dichloroanilino)-8-fluoro-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide (CID 58886667) is 3-chloro-7-(2,4-dichloroanilino)-8-fluoro-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-chloro-7-(2,4-dichloroanilino)-8-fluoro-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 3-chloro-7-(2,4-dichloroanilino)-8-fluoro-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide is O=C(NOCCO)c1cn2c(Cl)cnc2c(F)c1Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-chloro-7-(2,4-dichloroanilino)-8-fluoro-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is NWPNIMOHYUWBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3FN4O3/c17-8-1-2-11(10(18)5-8)22-14-9(16(26)23-27-4-3-25)7-24-12(19)6-21-15(24)13(14)20/h1-2,5-7,22,25H,3-4H2,(H,23,26).
What are the key properties of 3-chloro-7-(2,4-dichloroanilino)-8-fluoro-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide?
3-chloro-7-(2,4-dichloroanilino)-8-fluoro-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 433.65 g/mol, XLogP of 3.83, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-(2,4-dichloroanilino)-8-fluoro-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 58886667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).