7-(4-chloro-2-fluoroanilino)-8-fluoro-N-[(2-methylpropan-2-yl)oxy]imidazo[1,2-a]pyridine-6-carboxamide

C18H17ClF2N4O2 — CID 89185454

IUPAC7-(4-chloro-2-fluoroanilino)-8-fluoro-N-[(2-methylpropan-2-yl)oxy]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(C)(C)ONC(=O)c1cn2ccnc2c(F)c1Nc1ccc(Cl)cc1F
InChIInChI=1S/C18H17ClF2N4O2/c1-18(2,3)27-24-17(26)11-9-25-7-6-22-16(25)14(21)15(11)23-13-5-4-10(19)8-12(13)20/h4-9,23H,1-3H3,(H,24,26)
InChIKeyGSCQATWAKAEKMJ-UHFFFAOYSA-N
MW394.81 g/mol
LogP4.47
Rot. Bonds4

About 7-(4-chloro-2-fluoroanilino)-8-fluoro-N-[(2-methylpropan-2-yl)oxy]imidazo[1,2-a]pyridine-6-carboxamide

7-(4-chloro-2-fluoroanilino)-8-fluoro-N-[(2-methylpropan-2-yl)oxy]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 89185454) has the molecular formula C18H17ClF2N4O2 and a molecular weight of 394.81 g/mol. Its IUPAC name is 7-(4-chloro-2-fluoroanilino)-8-fluoro-N-[(2-methylpropan-2-yl)oxy]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name7-(4-chloro-2-fluoroanilino)-8-fluoro-N-[(2-methylpropan-2-yl)oxy]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID89185454
Molecular FormulaC18H17ClF2N4O2
Molecular Weight394.81 g/mol
Exact Mass394.10
IUPAC Name7-(4-chloro-2-fluoroanilino)-8-fluoro-N-[(2-methylpropan-2-yl)oxy]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(C)(C)ONC(=O)c1cn2ccnc2c(F)c1Nc1ccc(Cl)cc1F
InChIInChI=1S/C18H17ClF2N4O2/c1-18(2,3)27-24-17(26)11-9-25-7-6-22-16(25)14(21)15(11)23-13-5-4-10(19)8-12(13)20/h4-9,23H,1-3H3,(H,24,26)
InChIKeyGSCQATWAKAEKMJ-UHFFFAOYSA-N
XLogP4.47
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.81
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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
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
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 167361757
7-(4-bromo-2-fluoroanilino)-8-chloroimidazo[1,2-a]pyridine-6-carboxamide
CID 71189060
8-chloro-7-(2-fluoroanilino)-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide
CID 58760507
7-(4-bromo-2-chloroanilino)-8-chloro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide
CID 89353165
3-chloro-7-(2,4-dichloroanilino)-8-fluoro-N-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-6-carboxamide
CID 58886667
N-(4-aminobutyl)-N-(2-butoxyethyl)-8-chloro-7-(2-fluoro-4-methylanilino)imidazo[1,2-a]pyridine-6-carboxamide;ethane
CID 143442403
2-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 24851892
CID 163986010
CID 163986010
2-fluoro-5-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 82724689

Frequently Asked Questions

What is the IUPAC name of 7-(4-chloro-2-fluoroanilino)-8-fluoro-N-[(2-methylpropan-2-yl)oxy]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 7-(4-chloro-2-fluoroanilino)-8-fluoro-N-[(2-methylpropan-2-yl)oxy]imidazo[1,2-a]pyridine-6-carboxamide (CID 89185454) is 7-(4-chloro-2-fluoroanilino)-8-fluoro-N-[(2-methylpropan-2-yl)oxy]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 7-(4-chloro-2-fluoroanilino)-8-fluoro-N-[(2-methylpropan-2-yl)oxy]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 7-(4-chloro-2-fluoroanilino)-8-fluoro-N-[(2-methylpropan-2-yl)oxy]imidazo[1,2-a]pyridine-6-carboxamide is CC(C)(C)ONC(=O)c1cn2ccnc2c(F)c1Nc1ccc(Cl)cc1F.
What is the InChIKey of 7-(4-chloro-2-fluoroanilino)-8-fluoro-N-[(2-methylpropan-2-yl)oxy]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is GSCQATWAKAEKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N4O2/c1-18(2,3)27-24-17(26)11-9-25-7-6-22-16(25)14(21)15(11)23-13-5-4-10(19)8-12(13)20/h4-9,23H,1-3H3,(H,24,26).
What are the key properties of 7-(4-chloro-2-fluoroanilino)-8-fluoro-N-[(2-methylpropan-2-yl)oxy]imidazo[1,2-a]pyridine-6-carboxamide?
7-(4-chloro-2-fluoroanilino)-8-fluoro-N-[(2-methylpropan-2-yl)oxy]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 394.81 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chloro-2-fluoroanilino)-8-fluoro-N-[(2-methylpropan-2-yl)oxy]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 89185454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).